SCHEMBL4085277

SCHEMBL4085277

O=C(CCC(=O)c1ccc(Oc2ccc(O)cc2)cc1)NCc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.60
MMP13 P45452 1/20 0.58
MAPT P10636 1/20 0.56
CYP3A4 P08684 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
GAA P10253 1/20 0.53
NAMPT P43490 1/20 0.53
MMP1 P03956 1/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK14 Q16539 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL4093192 0.90 GAA (0.67) HSD17B1MMP13MAPTCYP3A4CYP1A2
SCHEMBL4092508 0.89 MMP1 (0.49) HSD17B1MMP13CYP3A4CYP1A2CYP2C9
SCHEMBL4095399 0.86 HSD17B1 (0.77) HSD17B1MMP13MAPTCYP3A4CYP1A2
SCHEMBL4101406 0.82 HSD17B1 (0.61) HSD17B1MMP13CYP3A4CYP1A2CYP2C19
SCHEMBL4096345 0.81 HSD17B1 (0.62) HSD17B1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL16610098 0.80 MAPT (0.84) MAPTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL4093157 0.79 LMNA (0.61) HSD17B1MMP13GAAMMP1LMNA
SCHEMBL5257811 0.76 LMNA (0.72) MMP13MAPTGAANAMPTLMNA
SCHEMBL20908907 0.76 PKM (0.64) HSD17B1ALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL11632041 0.76 MMP13 (0.81) MMP13MAPTCYP3A4GAANAMPT

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 4/4885MMP13 800/4885MAPT 929/4885

“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.