SCHEMBL464008

SCHEMBL464008

CC[C@](C)(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.47
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALOX15 P16050 1/20 0.44
ESR2 Q92731 4/20 0.43
ESR1 P03372 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
KCNN4 O15554 1/20 0.43
MAPK1 P28482 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14463747 1.00 CYP2C19 (0.47) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL124188 1.00 CYP2C19 (0.47) CYP2C19HIF1AALDH1A1TAAR1ALOX15
Ammonia Solution, Strong SCHEMBL28367219 0.98 CYP2C19 (0.46) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL7574539 0.87 ESR1 (0.44) ESR2ESR1CYP3A4KMT2AMAPT
SCHEMBL17403393 0.87 CYP2C9 (0.48) CYP2C19ALDH1A1ESR2ESR1CYP3A4
SCHEMBL10414031 0.83 ESR1 (0.43) ESR2ESR1CYP2C9
SCHEMBL10617967 0.83 CYP2C19 (0.46) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL297345 0.83 CYP2C19 (0.46) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL3190736 0.82 CYP2C19 (0.48) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL3197683 0.82 CYP2C19 (0.48) CYP2C19HIF1AALDH1A1TAAR1ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912474-B Preparation method of chiral tertiary alcohol 珠海复旦创新研究院 2024-08-16 CN disclosed
CN-113912474-A Preparation method of chiral tertiary alcohol 珠海复旦创新研究院 2022-01-11 CN disclosed
US-20170204036-A1 CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES UNIVERSITY COLLEGE DUBLIN (IE) 2017-07-20 US disclosed
US-20170204036-A1 CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES UNIVERSITY COLLEGE DUBLIN (IE) 2017-07-20 US disclosed
US-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2014-03-27 US disclosed
US-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2014-03-27 US disclosed
US-8624024-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-01-07 US disclosed
US-8624024-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-01-07 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-20120214988-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-8198445-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-06-12 US disclosed
US-8198445-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-06-12 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 US disclosed
US-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-05-06 US disclosed
US-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-05-06 US disclosed
EP-2128167-A1 PHOSPHOROAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST, AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL National University Corporation Nagoya University (JP) 2009-12-02 EP disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 CYP2C19 902/4885HIF1A 3098/4885ALDH1A1 1216/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD CYP2C19 490/4885HIF1A 1585/4885ALDH1A1 2218/4885
US-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA CYP2C19 2417/4885HIF1A 4825/4885ALDH1A1 424/4885
US-20120214988-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA CYP2C19 2417/4885HIF1A 4825/4885ALDH1A1 424/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD CYP2C19 490/4885HIF1A 1585/4885ALDH1A1 2218/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP CYP2C19 820/4885HIF1A 1518/4885ALDH1A1 2639/4885
US-20170204036-A1 CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES ADH1C, ADH1A, ADH5 CYP2C19 1275/4885HIF1A 1590/4885ALDH1A1 7/4885
US-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA CYP2C19 2417/4885HIF1A 4825/4885ALDH1A1 424/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.