SCHEMBL722323

SCHEMBL722323

CC(C)(C)c1cc(O)c2cc(C(C)(C)C)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
RECQL P46063 1/20 0.47
NR1I2 O75469 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
LMNA P02545 1/20 0.41
TYR P14679 1/20 0.41
CYP2D6 P10635 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL27787421 0.80 GABRA1 (0.55) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL720292 0.80 PTPN1 (0.57) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL10015432 0.78 ALDH1A1 (0.41) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL19196663 0.78 ALDH1A1 (0.55) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL19196108 0.78 ALDH1A1 (0.50) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL2054647 0.78 CTDSP1 (0.53) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL7629173 0.78 ALDH1A1 (0.55) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL10946476 0.77 ESR1 (0.54) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL11906285 0.77 ALDH1A1 (0.53) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL18401060 0.77 ALDH1A1 (0.64) ALDH1A1HPGDALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 US disclosed
US-8759318-B2 Phosphoramidate derivatives of guanosine nucleoside compounds for treatment of viral infections INHIBITEX, INC. (US) 2014-06-24 US disclosed
US-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2012-03-01 US disclosed
EP-2385951-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS University College Cardiff Consultants, Ltd. (GB) 2011-11-16 EP disclosed
US-20110254856-A1 MOBILE TERMINAL AND METHOD OF CONTROLLING OPERATION OF THE MOBILE TERMINAL LG ELECTRONICS INC. (KR) 2011-10-20 US disclosed
WO-2010081082-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY COLLEGE OF CARDIFF CONSULTANTS LIMITED (GB) 2010-07-15 WO 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 (3 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-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections PNP, SAMHD1, MTAP ALDH1A1 4139/4885HPGD 2162/4885ALOX15 4038/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 ALDH1A1 1706/4885HPGD 823/4885ALOX15 493/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 ALDH1A1 1706/4885HPGD 823/4885ALOX15 493/4885

“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.