SCHEMBL4089722

SCHEMBL4089722

CCc1cc(-c2ccc(C(=O)CCC(=O)O)c(C)c2)ccc1OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FFAR1 O14842 2/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SRD5A2 P31213 1/20 0.39

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
SCHEMBL4085995 0.85 SMN1; SMN2 (0.54) MEN1KMT2AFFAR1PDE4BCTNNB1
SCHEMBL4272863 0.79 ALDH1A1 (0.57) HTTMEN1KMT2APDE4BCTNNB1
SCHEMBL4099556 0.77 HTT (0.59) HTTFFAR1PDE4BHPGDHSD17B1
SCHEMBL4100708 0.76 HSD17B1 (0.62) HPGDHSD17B1HSD17B10ALDH1A1CYP1A2
SCHEMBL12325012 0.75 HSD17B1 (0.59) HTTHPGDHSD17B1HSD17B10ALDH1A1
SCHEMBL4085974 0.75 HSD17B1 (0.52) MEN1KMT2AHSD17B1ALDH1A1CYP1A2
SCHEMBL1374262 0.75 HTT (1.00) HTTMEN1KMT2APDE4BHPGD
SCHEMBL10835088 0.73 KMT2A (0.68) HTTMEN1KMT2ACTNNB1WNT3A
SCHEMBL11708856 0.73 HTT (0.56) HTTMEN1KMT2APDE4BCTNNB1
SCHEMBL8216666 0.73 HTT (0.60) HTTMEN1KMT2AHPGDHSD17B10

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 HTT 1137/4885MEN1 1122/4885KMT2A 2145/4885

“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.