SCHEMBL9945953

SCHEMBL9945953

CCCOc1ccc(F)cc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 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
SCHEMBL11890399 0.87 L3MBTL1 (0.43) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL16952407 0.87 HTR2A (0.44) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL9945958 0.86 ALDH1A1 (0.44) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL17830890 0.85 ALDH1A1 (0.44) HTR2CHTR2BALDH1A1MEN1KMT2A
SCHEMBL18907700 0.85 CYP1A2 (0.42) HTR2AALDH1A1MEN1KMT2AHTT
SCHEMBL16957922 0.81 HTR2C (0.42) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL9945954 0.81 ALDH1A1 (0.48) HTR2BALDH1A1MEN1KMT2AHTT
SCHEMBL12889916 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL23901711 0.79 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL12356963 0.79 MAPT (0.48) HTR2CHTR2BALDH1A1MEN1KMT2A

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 HTR2A 7/4885HTR2C 1/4885HTR2B 21/4885

“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.