SCHEMBL4101406

SCHEMBL4101406

CCc1cc(Oc2ccc(C(=O)CCC(=O)NCc3cccnc3)cc2)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.61
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
USP2 O75604 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
GAA P10253 1/20 0.52
MMP13 P45452 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 3/20 0.49
NPC1 O15118 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RECQL P46063 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL4095816 0.91 HSD17B1 (0.55) HSD17B1ALDH1A1L3MBTL1USP2NPSR1
SCHEMBL4094282 0.89 HSD17B1 (0.77) HSD17B1ALDH1A1L3MBTL1USP2NPSR1
SCHEMBL4095399 0.89 HSD17B1 (0.77) HSD17B1ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL4093192 0.87 GAA (0.67) HSD17B1ALDH1A1L3MBTL1USP2NPSR1
SCHEMBL4085277 0.82 HSD17B1 (0.60) HSD17B1ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL4100708 0.81 HSD17B1 (0.62) HSD17B1ALDH1A1L3MBTL1USP2NPSR1
SCHEMBL4099539 0.80 HSD17B1 (0.64) HSD17B1ALDH1A1L3MBTL1USP2NPSR1
SCHEMBL4093157 0.77 LMNA (0.61) HSD17B1USP2GAAMMP13LMNA
SCHEMBL4091894 0.76 HSD17B1 (1.00) HSD17B1ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL4092400 0.76 HSD17B1 (0.66) HSD17B1GAALMNANPC1MEN1

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 4/4885ALDH1A1 56/4885L3MBTL1 4333/4885

“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.