SCHEMBL711622

SCHEMBL711622

CCCCC=Cc1ccc(C=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
ALDH3A1 P30838 1/20 0.44
ALDH1A3 P47895 1/20 0.44
TNNC1 P63316 1/20 0.43
KCNH2 Q12809 2/20 0.42
CYP2A6 P11509 3/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39
PDE5A O76074 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
FAAH O00519 2/20 0.38
TYR P14679 1/20 0.38
CYP2A13 Q16696 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37

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
SCHEMBL711621 1.00 ALDH1A1 (0.44) ALDH1A1ALDH3A1ALDH1A3TNNC1KCNH2
SCHEMBL2011338 0.92 TNNC1 (0.51) ALDH1A1ALDH3A1ALDH1A3TNNC1KCNH2
SCHEMBL2011336 0.92 TNNC1 (0.51) ALDH1A1ALDH3A1ALDH1A3TNNC1KCNH2
SCHEMBL6046924 0.83 TNNC1 (0.55) ALDH1A1TNNC1KCNH2TSHRTRPV1
SCHEMBL711599 0.82 ALDH1A1 (0.40) ALDH1A1LMNAPDE5A
SCHEMBL711600 0.82 ALDH1A1 (0.40) ALDH1A1LMNAPDE5A
SCHEMBL1052313 0.82 PDE5A (0.46) TNNC1KCNH2CYP2A6MAPTSMN1; SMN2
SCHEMBL21462942 0.82 PDE5A (0.46) TNNC1KCNH2CYP2A6MAPTSMN1; SMN2
SCHEMBL15050819 0.80 NFE2L2 (0.47) TNNC1KCNH2LMNA
SCHEMBL657475 0.80 ALDH1A1 (0.44) ALDH1A1TNNC1KCNH2TSHRPDE5A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124778-B2 Tricyclic inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2012-02-28 US disclosed
US-20100216750-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2010-08-26 US disclosed
EP-2161997-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE Boger, Dale L. (US) 2010-03-17 EP disclosed
WO-2008150492-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-11 WO 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-20100216750-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE FADS1, FAAH, SCD ALDH1A1 753/4885ALDH3A1 326/4885ALDH1A3 1199/4885

“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.