SCHEMBL9945958

SCHEMBL9945958

CCCOc1cc(F)ccc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
RXRA P19793 3/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
HTR2A P28223 1/20 0.43
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
RECQL P46063 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR1A P08908 1/20 0.38

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
SCHEMBL9908241 0.87 HRH4 (0.45) ALDH1A1SMN1; SMN2NPBWR1MCHR1RXRA
SCHEMBL29257300 0.87 HTR2C (0.44) ALDH1A1SMN1; SMN2NPBWR1MCHR1HTR2C
SCHEMBL29257299 0.87 HTR2C (0.44) ALDH1A1SMN1; SMN2NPBWR1MCHR1HTR2C
SCHEMBL9945953 0.86 HTR2A (0.46) ALDH1A1HTR2CHTR2BHTR2AKDM4E
SCHEMBL24869054 0.85 CYP1A2 (0.42) ALDH1A1SMN1; SMN2NPBWR1MCHR1KDM4E
SCHEMBL24869064 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPBWR1MCHR1KDM4E
SCHEMBL18929928 0.82 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2NPBWR1MCHR1HTR2A
SCHEMBL9946027 0.81 KMT2A (0.48) ALDH1A1SMN1; SMN2NPBWR1MCHR1RXRA
SCHEMBL15086403 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2NPBWR1MCHR1KDM4E
SCHEMBL25600572 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NPBWR1MCHR1RXRA

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.