SCHEMBL4091199

SCHEMBL4091199

CCc1cc(-c2ccc(C(=O)CCC(=O)NCc3cccnc3)c(C)c2)ccc1O

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.80
MAPT P10636 1/20 0.48
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
ALDH1A1 P00352 1/20 0.45
FAAH O00519 2/20 0.45
LMNA P02545 1/20 0.44
NOTUM Q6P988 1/20 0.44
RECQL P46063 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL4093511 0.91 HSD17B1 (0.67) HSD17B1ALDH1A1LMNACCNE1CDK2
SCHEMBL4091894 0.89 HSD17B1 (1.00) HSD17B1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL4100708 0.88 HSD17B1 (0.62) HSD17B1MAPTCYP3A4CYP1A2CYP2C19
SCHEMBL4092600 0.85 HSD17B1 (0.72) HSD17B1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL4094136 0.82 HSD17B1 (0.82) HSD17B1ALDH1A1
SCHEMBL4092400 0.81 HSD17B1 (0.66) HSD17B1MAPTLMNA
SCHEMBL4085506 0.81 GAA (0.57) HSD17B1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL4085974 0.80 HSD17B1 (0.52) HSD17B1CYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL4095399 0.79 HSD17B1 (0.77) HSD17B1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL4094282 0.77 HSD17B1 (0.77) HSD17B1MAPTCYP3A4CYP1A2CYP2C19

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 4 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
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 4/4885MAPT 929/4885CYP3A4 115/4885

“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.