SCHEMBL4095554

SCHEMBL4095554

CCc1cc(-c2ccc(OC)cc2)ccc1C(C)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.69
MAPK1 P28482 3/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
HSD11B1 P28845 1/20 0.51
ERCC5 P28715 1/20 0.48
FEN1 P39748 1/20 0.48
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
BACE1 P56817 1/20 0.44
HSP90AA1 P07900 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 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
SCHEMBL5730634 0.86 ALDH1A1 (0.62) HSD17B1MAPK1HPGDALDH1A1CYP3A4
SCHEMBL4096811 0.81 HSD17B1 (1.00) HSD17B1MAPK1HPGDALDH1A1CYP3A4
SCHEMBL4099556 0.81 HTT (0.59) HSD17B1HPGDALDH1A1ERCC5FEN1
SCHEMBL4085580 0.80 ERCC5 (0.48) HSD17B1MAPK1HPGDALDH1A1CYP3A4
SCHEMBL13699901 0.79 ABL1 (0.48) MAPK1HPGDLMNATSHRSMN1; SMN2
SCHEMBL13609519 0.79 MAPK1 (0.53) MAPK1HPGDALDH1A1CYP3A4HSD11B1
Methoxymethane SCHEMBL27367487 0.78 ABL1 (0.47) MAPK1HPGDLMNATSHRSMN1; SMN2
SCHEMBL14466515 0.76 ALDH1A1 (0.58) MAPK1HPGDALDH1A1CYP3A4SMN1; SMN2
SCHEMBL10304807 0.76 DYRK1A (0.47) MAPK1HPGDLMNATSHRSMN1; SMN2
SCHEMBL14282589 0.75 ERCC5 (0.63) MAPK1HPGDALDH1A1CYP3A4HSD11B1

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 HSD17B1 4/4885MAPK1 3220/4885HPGD 61/4885

“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.