SCHEMBL4090142

SCHEMBL4090142

COc1ccc(N(C)C(=O)c2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.58
HSD17B2 P37059 2/20 0.58
MCHR1 Q99705 2/20 0.56
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 3/20 0.52
HTT P42858 3/20 0.52
HSP90AA1 P07900 1/20 0.52
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX12 P18054 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL6806574 0.93 HSD17B1 (0.65) HSD17B1HSD17B2MCHR1RAB9ANPC1
SCHEMBL5582735 0.87 CA1 (0.67) HSD17B1HSD17B2MCHR1RAB9ANPC1
SCHEMBL7376311 0.85 HSD17B1 (0.57) HSD17B1HSD17B2MCHR1RAB9ANPC1
SCHEMBL17213443 0.85 HPGD (0.62) HSD17B1HSD17B2MCHR1RAB9ANPC1
SCHEMBL8703995 0.85 KDM4E (0.61) HSD17B1HSD17B2MCHR1RAB9ANPC1
SCHEMBL529976 0.85 KDM4E (0.71) HSD17B1HSD17B2MCHR1RAB9ANPC1
Water SCHEMBL11232726 0.84 HSD17B1 (0.56) HSD17B1HSD17B2MCHR1RAB9ANPC1
Water SCHEMBL11232730 0.84 HSD17B1 (0.56) HSD17B1HSD17B2MCHR1RAB9ANPC1
SCHEMBL15480658 0.83 CA1 (0.70) HSD17B1HSD17B2MCHR1RAB9ANPC1
SCHEMBL5582630 0.83 MCHR1 (0.56) HSD17B1HSD17B2MCHR1RAB9ANPC1

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 4/4885HSD17B2 1/4885MCHR1 2111/4885

“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.