SCHEMBL1859451

SCHEMBL1859451

COC(=O)C(CCCc1ccccc1)CCc1ccc(Oc2cccc(C#N)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.44
FFAR4 Q5NUL3 2/20 0.44
GPR34 Q9UPC5 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LPAR1 Q92633 2/20 0.43
EGLN2 Q96KS0 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
PPARG P37231 1/20 0.42
FOLH1 Q04609 1/20 0.42
FDFT1 P37268 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40

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
SCHEMBL1855203 0.91 CTSG (0.47) PPARGMMP2MMP3MMP12MMP13
SCHEMBL1858749 0.90 FOLH1 (0.50) FFAR1FFAR4GPR34SMN1; SMN2EGLN2
SCHEMBL1856368 0.87 PLAAT3 (0.50) FFAR1PPARGFDFT1MMP2MMP3
SCHEMBL3467017 0.86 MMP12 (0.57) FFAR1FFAR4FOLH1MMP2MMP3
SCHEMBL3467000 0.84 MMP12 (0.51) FFAR1FFAR4GPR34MMP2MMP3
SCHEMBL1855703 0.83 ALDH1A1 (0.54) LPAR1MMP2MMP3MMP13LPAR5
SCHEMBL3466543 0.82 MMP12 (0.51) MMP2MMP3MMP12MMP13
SCHEMBL1856595 0.82 MAPK14 (0.52) FFAR1SMN1; SMN2LPAR1MMP2MMP3
SCHEMBL1855993 0.81 LTA4H (0.49) PPARGMMP2MMP3MMP12MMP13
SCHEMBL1862879 0.80 PRSS1 (0.47) FFAR1PPARGFOLH1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS FFAR1 1990/4885FFAR4 681/4885GPR34 571/4885

“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.