SCHEMBL12656270

SCHEMBL12656270

CCCc1ccc2c(c1)C(=O)N(CC1CO1)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.46
HSD17B10 Q99714 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TSHR P16473 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
SCHEMBL15919819 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP1CASP7CYP1A2
SCHEMBL959122 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP1CASP7CYP1A2
SCHEMBL960179 0.77 ALDH1A1 (0.46) ALDH1A1HSD17B10CASP1CASP7CYP1A2
SCHEMBL959075 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP1CASP7CYP1A2
SCHEMBL19834295 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP1CASP7CYP1A2
SCHEMBL959179 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP1CASP7CYP1A2
SCHEMBL19834263 0.77 ALDH1A1 (0.72) ALDH1A1HSD17B10CASP1CASP7CYP1A2
SCHEMBL15906663 0.75 ALDH1A1 (0.64) ALDH1A1HSD17B10CASP1CASP7CYP1A2
SCHEMBL78821 0.75 CYP2C9 (0.68) ALDH1A1HSD17B10CASP1CASP7CYP1A2
SCHEMBL38819 0.75 CYP2C9 (0.68) ALDH1A1HSD17B10CASP1CASP7CYP1A2

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-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 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-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 ALDH1A1 2575/4885HSD17B10 4550/4885CASP1 2307/4885

“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.