SCHEMBL16124607

SCHEMBL16124607

CCCCc1ccc(OC(=O)NC(Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.55
ITGA4 P13612 5/20 0.55
ITGB7 P26010 2/20 0.55
KMT2A Q03164 1/20 0.55
ITGB3 P05106 7/20 0.52
ITGAV P06756 1/20 0.52
ITGA2B P08514 6/20 0.50
MME P08473 3/20 0.50
ACE P12821 3/20 0.50
CPA1 P15085 3/20 0.50
ACE2 Q9BYF1 3/20 0.50
FPR2 P25090 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49

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
SCHEMBL16124615 0.88 MME (0.49) ITGB1ITGA4ITGB3ITGAVMME
SCHEMBL16124658 0.85 MAPT (0.47)
SCHEMBL5259390 0.84 MME (0.56) ITGB1ITGA4ITGB7ITGB3ITGA2B
SCHEMBL1833280 0.84 MME (0.56) ITGB1ITGA4ITGB7ITGB3ITGA2B
SCHEMBL16124678 0.84 MAPT (0.65)
SCHEMBL13416755 0.84 ITGB1 (0.52) ITGB1ITGA4ITGB7KMT2AITGB3
SCHEMBL13396591 0.82 ITGB1 (0.50) ITGB1ITGA4ITGB7KMT2AITGB3
SCHEMBL12150054 0.81 FAAH (0.55) ITGB1ITGA4ITGB7ACEACE2
SCHEMBL28965835 0.81 PTPN1 (0.66) KMT2AITGB3ITGA2BMMEACE
SCHEMBL28965836 0.81 PTPN1 (0.66) KMT2AITGB3ITGA2BMMEACE

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
WO-2024043313-A1 REVERSIBLE THERMOCHROMIC COMPOSITION, MICROENCAPSULATED PIGMENT USING SAID REVERSIBLE THERMOCHROMIC COMPOSITION, WRITING TOOL, AND TOY 三菱ケミカル株式会社 2024-02-29 WO disclosed
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 ITGB1 203/4885ITGA4 773/4885ITGB7 823/4885

“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.