Sugi Predict

Sugi Predict / Compounds / SCHEMBL14713495

SCHEMBL14713495

SCHEMBL14713495

CC(C)[C@H](C)P(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ESR1 P03372 4/20 0.34
▸ ESR2 Q92731 4/20 0.34
▸ TAAR1 Q96RJ0 5/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ AOC3 Q16853 1/20 0.31
▸ SLC6A2 P23975 2/20 0.31
▸ MAOA P21397 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ LMNA P02545 2/20 0.30
▸ TSHR P16473 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ ADRA2A P08913 1/20 0.30

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
SCHEMBL18294158 1.00 TDP1 (0.41) TDP1CYP3A4ESR1ESR2TAAR1
SCHEMBL12446405 1.00 TDP1 (0.41) TDP1CYP3A4ESR1ESR2TAAR1
SCHEMBL4249541 0.89 TDP1 (0.45) TDP1CYP3A4ESR1ESR2TAAR1
SCHEMBL29178 0.89 TDP1 (0.45) TDP1CYP3A4ESR1ESR2TAAR1
SCHEMBL30147 0.89 TDP1 (0.45) TDP1CYP3A4ESR1ESR2TAAR1
SCHEMBL12584889 0.89 TDP1 (0.45) TDP1CYP3A4ESR1ESR2TAAR1
SCHEMBL31588 0.89 TDP1 (0.45) TDP1CYP3A4ESR1ESR2TAAR1
SCHEMBL18832827 0.89 TDP1 (0.45) TDP1CYP3A4ESR1ESR2TAAR1
SCHEMBL30366682 0.86 TDP1 (0.43) TDP1CYP3A4ESR1ESR2TAAR1
SCHEMBL4379627 0.85 TDP1 (0.38) TDP1CYP3A4ESR1ESR2TAAR1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11766653-B2 Method for carrying out a gas/fluid two-phase high-pressure reaction BASF SE (DE) 2023-09-26 — — US disclosed
US-20180186725-A1 METHOD FOR THE HOMOGENEOUS CATALYTIC REDUCTIVE AMINATION OF CARBONYL COMPOUNDS BASF SE (DE) 2018-07-05 — — US disclosed
US-9988331-B2 Method for producing optically active, racemic menthol BASF SE (DE) 2018-06-05 — — US disclosed
US-9975837-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2018-05-22 — — US disclosed
US-20180057437-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2018-03-01 — — US disclosed
US-9714263-B2 Selective hydrogenation of aldehydes with Ru/bidentate ligands complexes FIRMENICH SA (CH) 2017-07-25 — — US disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 — — US disclosed
US-20160039853-A1 SELECTIVE HYDROGENATION OF ALDEHYDES WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH SA (CH) 2016-02-11 — — US disclosed
US-9090534-B2 Selective hydrogenation of aldehyde with ru/bidentate ligands complexes FIREMENICH SA (CH) 2015-07-28 — — US disclosed
US-20140243526-A1 SELECTIVE HYDROGENATION OF ALDEHYDE WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH SA (CH) 2014-08-28 — — US disclosed
US-20130281747-A1 COBALT PHOSPHINE ALKYL COMPLEXES FOR THE ASYMMETRIC HYDROGENATION OF ALKENES NATIONAL SCIENCE FOUNDATION 2013-10-24 — — US disclosed
US-20130046118-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL BASF SE (DE) 2013-02-21 — — 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-20130046118-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL ADH1C, DHCR7, MSMO1 TDP1 2915/4885CYP3A4 258/4885ESR1 4062/4885
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS POF1B, FGFR1, COASY TDP1 4780/4885CYP3A4 1057/4885ESR1 1798/4885
US-20180186725-A1 METHOD FOR THE HOMOGENEOUS CATALYTIC REDUCTIVE AMINATION OF CARBONYL COMPOUNDS CAT, AOC1, CYCS TDP1 3952/4885CYP3A4 732/4885ESR1 4017/4885
US-20130281747-A1 COBALT PHOSPHINE ALKYL COMPLEXES FOR THE ASYMMETRIC HYDROGENATION OF ALKENES CPNE4, FTH1, HRH3 TDP1 3391/4885CYP3A4 1914/4885ESR1 2269/4885
US-20160039853-A1 SELECTIVE HYDROGENATION OF ALDEHYDES WITH RU/BIDENTATE LIGANDS COMPLEXES ADH5, ADH1A, ADH1C TDP1 4482/4885CYP3A4 307/4885ESR1 3014/4885
US-20140243526-A1 SELECTIVE HYDROGENATION OF ALDEHYDE WITH RU/BIDENTATE LIGANDS COMPLEXES ADH5, ADH1A, HAO2 TDP1 4517/4885CYP3A4 480/4885ESR1 3047/4885
US-11766653-B2 Method for carrying out a gas/fluid two-phase high-pressure reaction GLI2, CAPRIN1, GIGYF2 TDP1 3355/4885CYP3A4 3609/4885ESR1 3423/4885
US-20180057437-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS CBR3, CBR1, HRH4 TDP1 4453/4885CYP3A4 325/4885ESR1 1903/4885

“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.