SCHEMBL4096708

SCHEMBL4096708

CCc1cc(-c2ccc(C(C)=O)cc2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 8/20 1.00
PKM P14618 1/20 0.56
POLB P06746 1/20 0.53
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
HTT P42858 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
BACE1 P56817 1/20 0.46
KIF11 P52732 1/20 0.45
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
HSD17B2 P37059 1/20 0.44
AR P10275 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL13678958 0.87 HSD17B1 (0.75) HSD17B1HSP90AA1HSP90AB1BACE1ESR1
SCHEMBL385574 0.85 PKM (0.75) HSD17B1PKMPOLBHSP90AA1HSP90AB1
SCHEMBL3953461 0.84 HSD17B1 (0.71) HSD17B1HSP90AA1HSP90AB1BACE1ESR1
SCHEMBL10304743 0.82 HSD17B1 (0.70) HSD17B1PKMMAPTSMN1; SMN2KIF11
SCHEMBL2720462 0.81 HSD17B1 (0.68) HSD17B1BACE1ESR1ESR2AR
SCHEMBL26134242 0.81 HSD17B1 (0.68) HSD17B1BACE1ESR1ESR2AR
SCHEMBL13365307 0.80 HSD17B1 (0.67) HSD17B1PKMMAPTSMN1; SMN2KIF11
SCHEMBL1023129 0.79 HSD17B1 (0.66) HSD17B1HSP90AA1HTTMAPTBACE1
SCHEMBL4093175 0.78 HSD17B1 (0.64) HSD17B1PKMPOLBHSP90AA1HSP90AB1
SCHEMBL4086023 0.78 HSD17B1 (0.64) HSD17B1POLBALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816135-B2 Trisphenol compound HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2014-08-26 US disclosed
US-20120220805-A1 NOVEL TRISPHENOL COMPUND HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-08-30 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
EP-2013176-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER Sterix Limited (GB) 2009-01-14 EP disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 WO disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 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 (2 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-20120220805-A1 NOVEL TRISPHENOL COMPUND NCOR1, NCOR2, NCOA1 HSD17B1 285/4885PKM 4048/4885POLB 2214/4885
US-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 HSD17B1 4/4885PKM 687/4885POLB 1755/4885

“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.