SCHEMBL4101336

SCHEMBL4101336

CCc1cc(-c2ccc(-c3ccn(CC(=O)NCc4cccnc4)n3)cc2)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.64
PKM P14618 1/20 0.53
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL4090683 0.88 PKM (0.51) HSD17B1PKMLMNAHTTKMT2A
SCHEMBL4091894 0.78 HSD17B1 (1.00) HSD17B1LMNAERCC1ERCC4MAPT
SCHEMBL4095792 0.76 HSD17B1 (0.67) HSD17B1LMNANPC1RAB9AERCC1
SCHEMBL4091199 0.74 HSD17B1 (0.80) HSD17B1LMNAERCC1ERCC4CCNE1
SCHEMBL4085897 0.72 HSD17B1 (1.00) HSD17B1PKMLMNAHTTKMT2A
SCHEMBL5903746 0.72 PKM (0.55) PKMLMNAHTTKMT2ATDP1
SCHEMBL5903713 0.71 HDAC1 (0.60) PKMLMNAHTT
SCHEMBL13774781 0.71 HSD17B1 (0.47) HSD17B1KMT2A
SCHEMBL4095854 0.70 HSD17B1 (1.00) HSD17B1LMNAERCC1ERCC4KDM4E
SCHEMBL21632739 0.70 CNR1 (0.55) LMNATSHRMAPT

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 4/4885PKM 687/4885LMNA 1964/4885

“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.