SCHEMBL4526968

SCHEMBL4526968

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.59
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
IDH1 O75874 1/20 0.37
SLC6A5 Q9Y345 1/20 0.36
ALDH1A1 P00352 4/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
FKBP1A P62942 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
PTPN1 P18031 1/20 0.35
LNPEP Q9UIQ6 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
SCHEMBL13918412 0.94 CYSLTR2 (0.60) CYSLTR2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13918386 0.93 CYSLTR2 (0.59) CYSLTR2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4521709 0.93 CYSLTR2 (0.59) CYSLTR2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13918306 0.92 CYSLTR2 (0.61) CYSLTR2NPC1RAB9ASMN1; SMN2SLC6A5
SCHEMBL13918309 0.92 CYSLTR2 (0.68) CYSLTR2SMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL13918313 0.92 CYSLTR2 (0.61) CYSLTR2NPC1RAB9ASMN1; SMN2SLC6A5
SCHEMBL4522542 0.91 CYSLTR2 (0.63) CYSLTR2NPC1RAB9ASMN1; SMN2SLC6A5
SCHEMBL13918436 0.91 CYSLTR2 (0.59) CYSLTR2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4522808 0.90 CYSLTR2 (0.60) CYSLTR2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4520534 0.90 CYSLTR2 (0.68) CYSLTR2SMN1; SMN2HPGDSLC6A5ALDH1A1

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 1426/4885NPC1 478/4885RAB9A 3779/4885

“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.