SCHEMBL4522160

SCHEMBL4522160

COC(=O)c1ccc(OCCCc2ccc(OCCCC3CCCCC3)cc2)c(C(=O)NC2CCCC(C(=O)OC)C2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.63
FKBP1A P62942 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
SRC P12931 1/20 0.37
NAAA Q02083 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NMT1 P30419 1/20 0.35

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
SCHEMBL13918400 0.97 CYSLTR2 (0.63) CYSLTR2FKBP1AMEN1KMT2ACYP1A2
SCHEMBL4530062 0.90 CYSLTR2 (0.78) CYSLTR2FKBP1AMEN1KMT2ACYP1A2
SCHEMBL13932995 0.90 CYSLTR2 (0.75) CYSLTR2FKBP1AMEN1KMT2AALDH1A1
SCHEMBL4522056 0.90 CYSLTR2 (0.65) CYSLTR2FKBP1AMEN1KMT2ACYP1A2
SCHEMBL4521894 0.90 CYSLTR2 (0.78) CYSLTR2MEN1KMT2AALDH1A1POLB
SCHEMBL13918366 0.89 CYSLTR2 (0.67) CYSLTR2
SCHEMBL13918369 0.89 CYSLTR2 (0.67) CYSLTR2
SCHEMBL13918361 0.89 CYSLTR2 (0.67) CYSLTR2
SCHEMBL13918334 0.88 CYSLTR2 (0.64) CYSLTR2FKBP1AMEN1KMT2ACYP1A2
SCHEMBL4522542 0.88 CYSLTR2 (0.63) CYSLTR2FKBP1AMEN1KMT2AALDH1A1

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 1426/4885FKBP1A 90/4885MEN1 3208/4885

“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.