SCHEMBL9945954

SCHEMBL9945954

CCCOc1ccc(C)cc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
MAPT P10636 5/20 0.48
POLB P06746 3/20 0.48
GPR55 Q9Y2T6 1/20 0.48
KDM4E B2RXH2 5/20 0.44
TDP1 Q9NUW8 4/20 0.44
ATM Q13315 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL12952630 0.90 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPBWR1MCHR1MAPT
SCHEMBL9945918 0.87 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2NPBWR1MCHR1MAPT
SCHEMBL12907122 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPBWR1MCHR1MAPT
SCHEMBL16952284 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPBWR1MCHR1MAPT
SCHEMBL15086403 0.86 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2NPBWR1MCHR1MAPT
SCHEMBL18959732 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPBWR1MCHR1KDM4E
SCHEMBL18959733 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NPBWR1MCHR1MAPT
SCHEMBL12889916 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTPOLBKDM4E
SCHEMBL23901711 0.81 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2NPBWR1MCHR1MAPT
SCHEMBL9945953 0.81 HTR2A (0.46) ALDH1A1MAPTPOLBKDM4ETDP1

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 ALDH1A1 4010/4885SMN1; SMN2 3273/4885NPBWR1 1689/4885

“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.