SCHEMBL2454085

SCHEMBL2454085

CCCCCOc1cc(OC)ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.56
PPARA Q07869 1/20 0.56
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
CYSLTR2 Q9NS75 1/20 0.53
CYSLTR1 Q9Y271 1/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
PTPN11 Q06124 5/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
S1PR3 Q99500 1/20 0.52
PLA2G4B P0C869 2/20 0.51

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
SCHEMBL4304889 0.97 PPARG (0.55) PPARGPPARATHRATHRBCYSLTR2
SCHEMBL7290141 0.91 KDM4E (0.51) PPARGPPARAHDAC3HDAC1HDAC2
SCHEMBL2448097 0.90 PTPN11 (0.61) CYSLTR2CYSLTR1TP53TSHRPTPN11
SCHEMBL5492191 0.89 PTPN11 (0.64) THRATHRBTP53TSHRPTPN11
SCHEMBL7820620 0.89 PTPN11 (0.64) THRATHRBTP53TSHRPTPN11
SCHEMBL11237589 0.88 THRA (0.67) PPARGPPARATHRATHRBTP53
SCHEMBL12432167 0.88 THRA (0.67) PPARGPPARATHRATHRBTP53
SCHEMBL9525503 0.88 LMNA (0.54) THRATHRBCYSLTR2CYSLTR1HDAC3
SCHEMBL1750042 0.87 PTPN11 (0.57) PPARGPPARATHRATHRBTP53
SCHEMBL4304885 0.87 HDAC3 (0.54) THRATHRBCYSLTR2CYSLTR1HDAC3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US disclosed
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 EP disclosed
US-20090069430-A1 DIBENZENE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROPHARMA, S.A. (ES) 2009-03-12 US disclosed
US-20090069430-A1 DIBENZENE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROPHARMA, S.A. (ES) 2009-03-12 US disclosed
US-20090069430-A1 DIBENZENE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROPHARMA, S.A. (ES) 2009-03-12 US disclosed
EP-1976823-A1 DIBENZENE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuropharma, S.A. (ES) 2008-10-08 EP disclosed
WO-2007068754-A1 DIBENZENE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROPHARMA, S.A. (ES) 2007-06-21 WO disclosed
WO-2007068754-A1 DIBENZENE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROPHARMA, S.A. (ES) 2007-06-21 WO 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 (2 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-20090069430-A1 DIBENZENE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1B, CACNB1, CACNA1C PPARG 2459/4885PPARA 2017/4885THRA 2702/4885
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 PPARG 1727/4885PPARA 2247/4885THRA 2866/4885

“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.