SCHEMBL4085995

SCHEMBL4085995

CCc1cc(-c2ccc(C(=O)CCC(=O)O)cc2)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
CYP1A2 P05177 2/20 0.54
FFAR1 O14842 1/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
HIF1A Q16665 1/20 0.54
CTNNB1 P35222 2/20 0.50
WNT3A P56704 2/20 0.50
HPGD P15428 4/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 3/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
SRD5A2 P31213 1/20 0.46
PDE4B Q07343 1/20 0.46
USP5 P45974 1/20 0.44
MEN1 O00255 1/20 0.44
NR4A2 P43354 1/20 0.44

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
SCHEMBL4272863 0.88 ALDH1A1 (0.57) CYP1A2CTNNB1WNT3AHPGDALDH1A1
SCHEMBL4089722 0.85 HTT (0.59) CYP1A2FFAR1CTNNB1WNT3AHPGD
SCHEMBL4090943 0.84 HSD17B10 (0.53) CYP1A2LMNARAB9ACTNNB1WNT3A
SCHEMBL4098160 0.81 SRD5A2 (0.44) SMN1; SMN2CTNNB1WNT3AKMT2AMAPT
SCHEMBL4086023 0.81 HSD17B1 (0.64) HPGDALDH1A1KMT2AL3MBTL1SRD5A2
SCHEMBL4093397 0.80 TP53 (0.48) SMN1; SMN2CYP1A2CTNNB1WNT3AHPGD
SCHEMBL4095528 0.80 ALDH1A1 (0.43) CYP1A2LMNACTNNB1WNT3AALDH1A1
SCHEMBL12325012 0.78 HSD17B1 (0.59) LMNAHPGDALDH1A1HSD17B10MAPT
SCHEMBL29923058 0.77 CTNNB1 (0.73) CYP1A2CTNNB1WNT3AHPGDALDH1A1
SCHEMBL7864057 0.77 PDE4B (0.73) SMN1; SMN2CYP1A2FFAR1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 SMN1; SMN2 1091/4885CYP1A2 38/4885FFAR1 2550/4885

“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.