SCHEMBL4093157

SCHEMBL4093157

COc1ccc(Oc2ccc(C(=O)CCC(=O)NCCc3cccnc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
KMT2A Q03164 1/20 0.56
GAA P10253 1/20 0.56
PTAFR P25105 2/20 0.51
MMP13 P45452 1/20 0.50
KCNK3 O14649 1/20 0.50
KCNH2 Q12809 1/20 0.50
MMP1 P03956 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
USP2 O75604 1/20 0.48
HSD17B1 P14061 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
SCHEMBL4092508 0.90 MMP1 (0.49) LMNAKMT2AGAAPTAFRMMP13
SCHEMBL4093192 0.89 GAA (0.67) LMNAGAAMMP13USP2HSD17B1
SCHEMBL7367952 0.84 RAB9A (0.68) LMNAKMT2AGAAPTAFRNPC1
SCHEMBL16610103 0.80 CYP3A4 (0.61) LMNAKMT2AGAAPTAFRNPC1
SCHEMBL4100562 0.80 KMT2A (0.55) LMNAKMT2AMMP1NPC1RAB9A
SCHEMBL4099539 0.79 HSD17B1 (0.64) KMT2APTAFRUSP2HSD17B1
SCHEMBL4085277 0.79 HSD17B1 (0.60) LMNAKMT2AGAAMMP13MMP1
SCHEMBL11606129 0.79 GAA (0.61) LMNAKMT2AGAAMMP13NPC1
SCHEMBL4101406 0.77 HSD17B1 (0.61) LMNAKMT2AGAAMMP13NPC1
SCHEMBL15988693 0.76 LMNA (0.70) LMNAKMT2AGAAMMP1NPC1

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 LMNA 1964/4885KMT2A 2145/4885GAA 316/4885

“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.