SCHEMBL4525962

SCHEMBL4525962

ICCOc1ccc(/C=C\CCCOc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.47
PPARA Q07869 2/20 0.47
CHRNA7 P36544 13/20 0.46
KCNA3 P22001 1/20 0.46
CHRNA10 Q9GZZ6 3/20 0.45
CHRNA9 Q9UGM1 3/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
PPARD Q03181 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4525969 1.00 RELA (0.47) RELAPPARACHRNA7KCNA3CHRNA10
SCHEMBL5206770 0.91 RELA (0.47) RELAPPARACHRNA7KCNA3CHRNA10
SCHEMBL4513918 0.84 ALDH1A1 (0.59) RELAPPARACHRNA7KCNA3CHRNA10
SCHEMBL4524708 0.84 ALDH1A1 (0.59) RELAPPARACHRNA7KCNA3CHRNA10
SCHEMBL4513923 0.84 ALDH1A1 (0.59) RELAPPARACHRNA7KCNA3CHRNA10
SCHEMBL4508132 0.83 PPARA (0.48) RELAPPARACHRNA7KCNA3CHRNA10
SCHEMBL6179434 0.83 RELA (0.49) RELAPPARACHRNA7KCNA3CHRNA10
SCHEMBL4508135 0.83 PPARA (0.48) RELAPPARACHRNA7KCNA3CHRNA10
SCHEMBL6171091 0.83 DRD2 (0.51) RELAPPARACHRNA7KCNA3CHRNB4
SCHEMBL6179433 0.83 RELA (0.49) RELAPPARACHRNA7KCNA3CHRNA10

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 RELA 474/4885PPARA 42/4885CHRNA7 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.