SCHEMBL4522808

SCHEMBL4522808

COC(=O)c1ccc(OCCCc2ccc(OCc3ccc(OCC4CC4)cc3)cc2)c(C(=O)NC2CCCC(C(=O)OC)C2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.60
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
SRC P12931 2/20 0.36
MCHR1 Q99705 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FKBP1A P62942 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
POLB P06746 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
SCHEMBL13918313 0.92 CYSLTR2 (0.61) CYSLTR2MEN1KMT2AMAPTNPC1
SCHEMBL13918306 0.92 CYSLTR2 (0.61) CYSLTR2MEN1KMT2AMAPTNPC1
SCHEMBL13918309 0.92 CYSLTR2 (0.68) CYSLTR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4522542 0.92 CYSLTR2 (0.63) CYSLTR2MEN1KMT2AMAPTNPC1
SCHEMBL13918386 0.90 CYSLTR2 (0.59) CYSLTR2MEN1KMT2AMAPTNPC1
SCHEMBL13918326 0.90 CYSLTR2 (0.59) CYSLTR2MEN1KMT2AMAPTNPC1
SCHEMBL4520534 0.90 CYSLTR2 (0.68) CYSLTR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4520955 0.90 CYSLTR2 (0.59) CYSLTR2ALDH1A1SLC6A5POLB
SCHEMBL4526968 0.90 CYSLTR2 (0.59) CYSLTR2MEN1KMT2AMAPTNPC1
SCHEMBL4521709 0.90 CYSLTR2 (0.59) CYSLTR2MEN1KMT2AMAPTNPC1

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 1426/4885PDE4A 1912/4885PDE4B 1973/4885

“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.