SCHEMBL25754067

SCHEMBL25754067

COC(=O)[C@H](Cc1ccc(C)cc1)NCl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.46
THRB P10828 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
NOS2 P35228 2/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
TSHR P16473 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
SCHEMBL10076406 0.86 ATM (0.58) ATML3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL13110190 0.86 ESR1 (0.61) ATMCYP2C9CYP2C19ALDH1A1THRB
SCHEMBL12726153 0.86 ESR1 (0.61) ATMCYP2C9CYP2C19ALDH1A1THRB
SCHEMBL14304628 0.86 NOS2 (0.55) ATML3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL28858146 0.85 ATM (0.57) ATML3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL19671499 0.85 NOS2 (0.60) ATML3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL18023654 0.85 NOS2 (0.60) ATML3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL12666720 0.84 ATM (0.63) ATML3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL2602049 0.84 ATM (0.63) ATML3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL25453645 0.83 ATM (0.56) ATML3MBTL1CYP2C9CYP2C19ALDH1A1

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-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-06-27 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-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 YAP1, YES1, MYC ATM 1277/4885L3MBTL1 265/4885CYP2C9 4485/4885

“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.