SCHEMBL5879370

SCHEMBL5879370

C=CCC(CCCCC)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.58
CA1 P00915 2/20 0.58
ZDHHC7 Q9NXF8 1/20 0.50
TSHR P16473 3/20 0.45
BIRC2 Q13490 5/20 0.44
ABCB1 P08183 1/20 0.43
FAAH O00519 1/20 0.41
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
POLB P06746 1/20 0.37
POLA1 P09884 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
SCHEMBL27451629 0.98 CA2 (0.56) CA2CA1ZDHHC7TSHRBIRC2
SCHEMBL7165372 0.98 CA2 (0.56) CA2CA1ZDHHC7TSHRBIRC2
SCHEMBL5599531 0.98 CA2 (0.56) CA2CA1ZDHHC7TSHRBIRC2
SCHEMBL29051932 0.95 CA2 (0.65) CA2CA1ZDHHC7TSHRBIRC2
SCHEMBL28087826 0.93 CA2 (0.62) CA2CA1ZDHHC7TSHRBIRC2
SCHEMBL11332479 0.87 CA1 (0.48) CA2CA1ZDHHC7TSHRABCB1
SCHEMBL2137726 0.86 ALDH1A1 (0.51) CA2CA1ZDHHC7BIRC2USP2
SCHEMBL28728350 0.86 CPB2 (0.45) CA2CA1ZDHHC7TSHRBIRC2
SCHEMBL28844467 0.85 CA2 (0.56) CA2CA1ZDHHC7TSHRBIRC2
SCHEMBL671483 0.85 TSHR (0.47) CA2CA1ZDHHC7TSHRFAAH

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-7034056-B2 Aryl and biaryl compounds having MCH modulatory activity PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2006-04-25 US disclosed
EP-1370520-A1 ARYL AND BIARYL COMPOUNDS HAVING MCH MODULATORY ACTIVITY PHARMACOPEIA, INC. (US) 2003-12-17 EP disclosed
US-20030092715-A1 Aryl and biaryl compounds having MCH modulatory activity SCHERING CORPORATION 2003-05-15 US disclosed
WO-2002076929-A1 ARYL AND BIARYL COMPOUNDS HAVING MCH MODULATORY ACTIVITY PHARMACOPEIA, INC. (US) 2002-10-03 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-20030092715-A1 Aryl and biaryl compounds having MCH modulatory activity MCHR1, MCHR2, MC3R CA2 3197/4885CA1 4486/4885ZDHHC7 2855/4885

“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.