SCHEMBL4521604

SCHEMBL4521604

COC(=O)c1ccc(OCCOc2ccc(OCCCCOc3ccccc3)cc2)c(C(=O)NC2CCCC(C(=O)OC)C2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.68
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CASP6 P55212 1/20 0.41
GRM5 P41594 2/20 0.41
NPC1 O15118 1/20 0.41
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4521894 0.94 CYSLTR2 (0.78) CYSLTR2RAB9AMAPTPOLBL3MBTL1
SCHEMBL13932995 0.94 CYSLTR2 (0.75) CYSLTR2RAB9AMAPTPOLBL3MBTL1
SCHEMBL4524350 0.92 CYSLTR2 (0.74) CYSLTR2RAB9AMAPTPOLBL3MBTL1
SCHEMBL4512254 0.91 CYSLTR2 (0.57) CYSLTR2RAB9AMAPTPOLBL3MBTL1
SCHEMBL4512258 0.91 CYSLTR2 (0.57) CYSLTR2RAB9AMAPTPOLBL3MBTL1
SCHEMBL4520696 0.90 CYSLTR2 (0.58) CYSLTR2RAB9AMAPTPOLBL3MBTL1
SCHEMBL4524539 0.90 CYSLTR2 (0.58) CYSLTR2RAB9AMAPTPOLBGRM5
SCHEMBL4524544 0.90 CYSLTR2 (0.58) CYSLTR2RAB9AMAPTPOLBGRM5
SCHEMBL4522329 0.89 CYSLTR2 (0.59) CYSLTR2RAB9AMAPTALDH1A1MEN1
SCHEMBL13918341 0.89 CYSLTR2 (0.70) CYSLTR2RAB9AMAPTPOLBL3MBTL1

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-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
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 1426/4885RAB9A 3779/4885MAPT 2446/4885

“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.