SCHEMBL4090955

SCHEMBL4090955

COc1ccc(-c2ccc(C(C)=O)cc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.59
SYK P43405 4/20 0.52
BACE1 P56817 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
AURKB Q96GD4 2/20 0.49
INCENP Q9NQS7 2/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46

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
SCHEMBL4085836 0.90 HSD17B1 (0.64) HSD17B1SYKBACE1SMN1; SMN2MEN1
SCHEMBL5024584 0.87 SMN1; SMN2 (0.59) HSD17B1BACE1SMN1; SMN2MEN1KMT2A
SCHEMBL1528983 0.86 CA1 (0.61) BACE1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL29997664 0.83 HSD17B1 (0.55) HSD17B1SMN1; SMN2MEN1NPC1KMT2A
SCHEMBL2722510 0.83 CYP2C9 (0.50) HSD17B1BACE1SMN1; SMN2NPC1KDM4E
SCHEMBL23602940 0.83 HSD17B1 (0.55) HSD17B1SMN1; SMN2MEN1NPC1KMT2A
SCHEMBL5142555 0.83 CYP2C19 (0.58) SYKBACE1SMN1; SMN2MEN1NPC1
SCHEMBL5147123 0.83 SYK (0.51) SYKBACE1SMN1; SMN2MEN1NPC1
SCHEMBL7752136 0.81 HSD17B1 (0.65) HSD17B1SMN1; SMN2NPC1KDM4EAKR1C3
SCHEMBL4091247 0.81 HSD17B1 (0.81) HSD17B1SMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 4/4885SYK 4825/4885BACE1 321/4885

“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.