SCHEMBL26328251

SCHEMBL26328251

Cc1ccc([C@@H]2C[C@]2(C(=O)O)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
LMNA P02545 5/20 0.36
CYP2C9 P11712 3/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
PPARA Q07869 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.35
FFAR1 O14842 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CA2 P00918 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
CCR2 P41597 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC4 P56524 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL23550006 1.00 KDM1A (0.39) KDM1ALMNACYP2C9TSHRBLM
SCHEMBL22781292 1.00 KDM1A (0.39) KDM1ALMNACYP2C9TSHRBLM
SCHEMBL19385670 0.85 LIG1 (0.41) KDM1ALMNACYP2C9TSHRBLM
SCHEMBL19385671 0.85 LIG1 (0.41) KDM1ALMNACYP2C9TSHRBLM
SCHEMBL27993793 0.85 MAPK1 (0.44) KDM1ACYP2C19RIPK1MAOAMAOB
SCHEMBL19385696 0.84 KDM1A (0.44) KDM1AMAOAMAOB
SCHEMBL19385753 0.84 KDM1A (0.44) KDM1AMAOAMAOB
SCHEMBL19385697 0.84 KDM1A (0.44) KDM1AMAOAMAOB
SCHEMBL19403587 0.84 KDM1A (0.44) KDM1AMAOAMAOB
SCHEMBL26328246 0.81 SMN1; SMN2 (0.41) KDM1AMAPTALDH1A1RAB9ASMN1; SMN2

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-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-09-26 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-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer AR, NR0B1, NCOA3 KDM1A 2785/4885LMNA 4159/4885CYP2C9 1411/4885

“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.