SCHEMBL4095528

SCHEMBL4095528

CCc1cc(-c2ccc(C(=O)CC#N)cc2)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
DHFR P00374 1/20 0.43
ELANE P08246 1/20 0.43
SRD5A2 P31213 1/20 0.43
HSD17B1 P14061 2/20 0.42
LTB4R Q15722 1/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4086023 0.80 HSD17B1 (0.64) ALDH1A1SRD5A2HSD17B1MEN1KMT2A
SCHEMBL4085995 0.80 SMN1; SMN2 (0.54) ALDH1A1MAPTCYP1A2CYP2C19DHFR
SCHEMBL30487237 0.78 MAPT (0.66) ALDH1A1MAPTCYP1A2CYP2C19ELANE
SCHEMBL139147 0.78 MAPT (0.66) ALDH1A1MAPTCYP1A2CYP2C19ELANE
SCHEMBL4098160 0.77 SRD5A2 (0.44) MAPTDHFRSRD5A2HSD17B1LTB4R
SCHEMBL12325012 0.77 HSD17B1 (0.59) ALDH1A1MAPTHSD17B1HTTKDM4E
SCHEMBL12694514 0.74 ALDH1A1 (0.61) ALDH1A1MAPTCYP1A2CYP2C19ELANE
SCHEMBL15353806 0.74 MAPT (0.50) ALDH1A1MAPTCYP1A2CYP2C19ELANE
SCHEMBL9902302 0.74 HTT (0.59) ALDH1A1MAPTCYP1A2CYP2C19ELANE
SCHEMBL4455774 0.74 HSD17B1 (0.43) ALDH1A1DHFRSRD5A2HSD17B1MEN1

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 ALDH1A1 56/4885MAPT 929/4885CYP1A2 38/4885

“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.