SCHEMBL995626

SCHEMBL995626

CCc1c(CO[PH](=O)OCc2ccc(C(F)(F)F)c(CC)c2CC)ccc(C(F)(F)F)c1CC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
IDO1 P14902 4/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
CACNA1C Q13936 1/20 0.30
SCN5A Q14524 1/20 0.30

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
SCHEMBL995340 0.84
SCHEMBL995491 0.78 NOS3 (0.31)
SCHEMBL2485972 0.77
SCHEMBL8967760 0.77 CTRC (0.31)
SCHEMBL8927408 0.75 TAAR1 (0.35) IDO1
SCHEMBL10726491 0.75
SCHEMBL996406 0.74 GABRA1 (0.39) MRGPRX4SCN5A
SCHEMBL995066 0.73 AR (0.32)
SCHEMBL998129 0.73 ALOX5 (0.41)
SCHEMBL997825 0.73 ALOX5 (0.41)

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-9133211-B2 Dithienobenzodithiophene semiconductive material and electronic device using the same RICOH COMPANY, LTD. (JP) 2015-09-15 US disclosed
EP-2457272-A1 NOVEL ORGANIC SEMICONDUCTIVE MATERIAL AND ELECTRONIC DEVICE USING THE SAME Ricoh Company, Ltd. (JP) 2012-05-30 EP disclosed
US-20120119195-A1 NOVEL ORGANIC SEMICONDUCTIVE MATERIAL AND ELECTRONIC DEVICE USING THE SAME RICOH COMPANY, LTD. (JP) 2012-05-17 US disclosed
WO-2011010710-A1 NOVEL ORGANIC SEMICONDUCTIVE MATERIAL AND ELECTRONIC DEVICE USING THE SAME RICOH COMPANY, LTD. (JP) 2011-01-27 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-20120119195-A1 NOVEL ORGANIC SEMICONDUCTIVE MATERIAL AND ELECTRONIC DEVICE USING THE SAME RPS10, OR10J3, RPS20 HDAC3 4311/4885HDAC4 4564/4885HDAC1 2352/4885

“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.