SCHEMBL4090943

SCHEMBL4090943

CCc1cc(Oc2ccc(C(=O)CCC(=O)O)cc2)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
PDE4B Q07343 1/20 0.50
CTNNB1 P35222 1/20 0.48
WNT3A P56704 1/20 0.48
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MMP1 P03956 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
USP5 P45974 1/20 0.42
MEN1 O00255 1/20 0.42

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 0.86 ALDH1A1 (0.57) HSD17B10HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL4095576 0.84 STING1 (0.45) HSD17B10ALDH1A1PDE4BCTNNB1WNT3A
SCHEMBL4085995 0.84 SMN1; SMN2 (0.54) HSD17B10HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL4091829 0.82 MAPT (0.58) HSD17B10HPGDALDH1A1HTTKMT2A
SCHEMBL4091233 0.81 PDE4B (0.73) HSD17B10HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL10885925 0.80 NR4A2 (0.63) HSD17B10HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL503582 0.76 PDE4B (0.80) HSD17B10HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL1527427 0.75 CTNNB1 (0.73) HSD17B10HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL29923058 0.75 CTNNB1 (0.73) HSD17B10HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL4437033 0.75 MMP1 (0.71) ALDH1A1CYP1A2CYP2C19PDE4BKMT2A

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 HSD17B10 22/4885HPGD 61/4885ALDH1A1 56/4885

“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.