SCHEMBL9946053

SCHEMBL9946053

CB(C)c1ccc(COc2cc(C)ccc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C8 P10632 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA1A P35348 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
SCHEMBL2558238 0.86 ALDH1A1 (0.48) ALDH1A1HPGDTSHRSMN1; SMN2NPC1
SCHEMBL3149374 0.80 ALDH1A1 (0.48) ALDH1A1HPGDTSHRSMN1; SMN2NPC1
SCHEMBL14228414 0.80 MAPT (0.56) ALDH1A1HPGDTSHRSMN1; SMN2NPC1
SCHEMBL15872037 0.79 GAA (0.60) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL27834056 0.78 ALDH1A1 (0.48) ALDH1A1HPGDTSHRSMN1; SMN2NPC1
SCHEMBL15872010 0.77 MAOB (0.47) ALDH1A1HPGDTSHRSMN1; SMN2NPC1
SCHEMBL1200245 0.76 MAOA (0.52) ALDH1A1HPGDTSHRSMN1; SMN2RAB9A
SCHEMBL9946078 0.76 MAOB (0.56) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2561404 0.73 MRGPRX4 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AFFAR1
SCHEMBL9946103 0.73 FFAR4 (0.40) SMN1; SMN2FFAR1FFAR4LMNAHTT

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 4010/4885HPGD 2142/4885TSHR 1441/4885

“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.