SCHEMBL4527400

SCHEMBL4527400

OCC=Cc1ccc(OCCCCOc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.58
▸ KCNA3 P22001 1/20 0.55
▸ CHRNA7 P36544 12/20 0.51
▸ CHRNA10 Q9GZZ6 4/20 0.50
▸ CHRNA9 Q9UGM1 4/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ S1PR1 P21453 1/20 0.49
▸ CHRNB4 P30926 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49

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
SCHEMBL4527397 1.00 PPARA (0.58) PPARAKCNA3CHRNA7CHRNA10CHRNA9
SCHEMBL4508135 0.90 PPARA (0.48) PPARAKCNA3CHRNA7CHRNA10CHRNA9
SCHEMBL4508128 0.90 PPARA (0.48) PPARAKCNA3CHRNA7CHRNA10CHRNA9
SCHEMBL4508132 0.90 PPARA (0.48) PPARAKCNA3CHRNA7CHRNA10CHRNA9
SCHEMBL11827906 0.84 AHR (0.57) CHRNA7CHRNB4CHRNA3
SCHEMBL11827899 0.84 AHR (0.57) CHRNA7CHRNB4CHRNA3
SCHEMBL10949490 0.84 LTA4H (0.52) ALDH1A1RECQL
SCHEMBL10949485 0.84 LTA4H (0.52) ALDH1A1RECQL
SCHEMBL11828016 0.83 NR5A1 (0.57) CHRNA7CHRNA10CHRNA9
SCHEMBL11828325 0.83 NR5A1 (0.57) CHRNA7CHRNA10CHRNA9

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 6 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
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 PPARA 42/4885KCNA3 3486/4885CHRNA7 3732/4885

“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.

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