SCHEMBL4304885

SCHEMBL4304885

CCCCCOc1cc(OC)ccc1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
PLA2G2A P14555 1/20 0.52
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
SMPD1 P17405 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL4307363 0.97 HDAC3 (0.57) HDAC3HDAC1HDAC2THRATHRB
SCHEMBL26355067 0.91 MAOA (0.60) THRATHRBMAOAMAOBSMPD1
SCHEMBL19549621 0.91 MAOA (0.60) THRATHRBMAOAMAOBSMPD1
SCHEMBL7288692 0.91 PLA2G2A (0.54) HDAC3HDAC1HDAC2PLA2G2ATDP1
SCHEMBL16482859 0.89 MAOA (0.54) HDAC3HDAC1HDAC2THRATHRB
SCHEMBL9525503 0.87 LMNA (0.54) HDAC3HDAC1HDAC2THRATHRB
SCHEMBL2454085 0.87 PPARG (0.56) HDAC3HDAC1HDAC2THRATHRB
SCHEMBL27009292 0.84 TDP1 (0.64) HDAC3HDAC1HDAC2TDP1MTNR1A
SCHEMBL4057376 0.84 KDM4E (0.50) TDP1KDM4EALDH1A1HSP90AA1MAPT
SCHEMBL4304889 0.83 PPARG (0.55) HDAC3HDAC1HDAC2THRATHRB

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-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 (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-20090069430-A1 DIBENZENE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1B, CACNB1, CACNA1C HDAC3 4294/4885HDAC1 3192/4885HDAC2 1763/4885

“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.