SCHEMBL25536709

SCHEMBL25536709

CCN(Cc1ccc(C(C)(C)C)cc1OC(F)(F)F)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SLC6A4 P31645 4/20 0.33
SLC6A2 P23975 3/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TRPV1 Q8NER1 4/20 0.32
SLC6A3 Q01959 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CETP P11597 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL25530571 0.81 CYP1A2 (0.39) CYP1A2CYP2C19L3MBTL1SLC6A4SLC6A2
SCHEMBL25574716 0.78 CA1 (0.40) CYP1A2CYP2C19ATMCA1CA2
SCHEMBL25530560 0.71 ADRA2A (0.39) CYP1A2CYP2C19SLC6A4SLC6A2HTR2A
SCHEMBL25530569 0.71 HTR2A (0.37) CYP1A2CYP2C19SLC6A4HTR2AKCNH2
SCHEMBL26017112 0.70 CXCR3 (0.36) SLC6A4SLC6A2SLC6A3
SCHEMBL25536705 0.70 CASR (0.35) ATML3MBTL1SLC6A4HTR2AKCNH2
SCHEMBL15803005 0.67 KDM4E (0.40) CA1CA2CA9TRPV1KDM4E
SCHEMBL10064792 0.67 PDE2A (0.41) KCNH2CA1CA2CA9TRPV1
SCHEMBL25530871 0.67 CA1 (0.40) CYP2C19L3MBTL1KCNH2CA1CA2
SCHEMBL24065735 0.67 KIF11 (0.37) L3MBTL1SLC6A4HTR2AKCNH2KDM4E

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-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 CYP1A2 3539/4885CYP2C19 2355/4885ATM 4286/4885

“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.