SCHEMBL4522056

SCHEMBL4522056

COC(=O)c1ccc(OCCCc2ccc(OCCCc3ccc(Cl)cc3)cc2)c(C(=O)NC2CCCC(C(=O)OC)C2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.65
GRM5 P41594 2/20 0.40
CXCR6 O00574 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.38
ABCC3 O15438 1/20 0.38
ABCC4 O15439 1/20 0.38
ABCC9 O60706 1/20 0.38
ABCB11 O95342 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CFTR P13569 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 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
SCHEMBL13918334 0.98 CYSLTR2 (0.64) CYSLTR2GRM5CXCR6MAOAMAOB
SCHEMBL13932995 0.92 CYSLTR2 (0.75) CYSLTR2MEN1ALDH1A1MAPTKMT2A
SCHEMBL4521894 0.92 CYSLTR2 (0.78) CYSLTR2GRM5MEN1ALDH1A1MAPT
SCHEMBL13918361 0.91 CYSLTR2 (0.67) CYSLTR2
SCHEMBL13918366 0.91 CYSLTR2 (0.67) CYSLTR2
SCHEMBL13918369 0.91 CYSLTR2 (0.67) CYSLTR2
SCHEMBL4522160 0.90 CYSLTR2 (0.63) CYSLTR2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL13918400 0.90 CYSLTR2 (0.63) CYSLTR2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL4522542 0.90 CYSLTR2 (0.63) CYSLTR2MEN1ALDH1A1LMNAMAPT
SCHEMBL4524350 0.90 CYSLTR2 (0.74) CYSLTR2MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 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-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A CYSLTR2 1426/4885GRM5 2397/4885CXCR6 2707/4885

“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.