SCHEMBL20126694

SCHEMBL20126694

COC(=O)[C@@H](C)Cc1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 2/20 0.55
CYP19A1 P11511 2/20 0.47
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
THRB P10828 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
NPY5R Q15761 1/20 0.42
TBXAS1 P24557 1/20 0.41
ACACB O00763 3/20 0.41
MAOB P27338 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
MAPK8 P45983 1/20 0.40

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
SCHEMBL2958476 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP19A1MAPK1LMNA
SCHEMBL5570673 0.84 CYP3A4 (0.45) ALDH1A1CYP3A4CYP19A1MAPK1LMNA
SCHEMBL17761604 0.81 ALDH1A1 (0.60) ALDH1A1CYP3A4MAPK1MAPTCYP2C9
SCHEMBL517463 0.81 ALDH1A1 (0.60) ALDH1A1CYP3A4MAPK1MAPTCYP2C9
SCHEMBL2600694 0.81 ALDH1A1 (0.60) ALDH1A1CYP3A4MAPK1MAPTCYP2C9
SCHEMBL19699287 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP19A1HSD17B10ESR1
SCHEMBL2059222 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP19A1HSD17B10ESR1
SCHEMBL5401318 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP19A1HSD17B10ESR1
SCHEMBL16508902 0.80 TBXAS1 (0.57) ALDH1A1CYP3A4LMNACYP2C9HSD17B10
SCHEMBL14590363 0.80 ATM (0.50) ALDH1A1CYP2C9CYP2C19THRBHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127464-A1 NOVEL EPHA4 INHIBITORS TARGETING ITS LIGAND BINDING DOMAIN SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2018-05-10 US 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-20180127464-A1 NOVEL EPHA4 INHIBITORS TARGETING ITS LIGAND BINDING DOMAIN EPHA4, EPHA1, EPHA6 ALDH1A1 3265/4885CYP3A4 2612/4885CYP19A1 4504/4885

“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.