SCHEMBL996014

SCHEMBL996014

CCC(CC)(O[PH](=O)O)c1ccc(OCCC(C)CCCC(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.43
ALOX5 P09917 1/20 0.43
MAPK1 P28482 1/20 0.41
RARB P10826 1/20 0.40
EPHX2 P34913 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
GGPS1 O95749 1/20 0.39
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
GSTO1 P78417 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL16340342 0.78 TDP1 (0.58) FDPSALOX5MAPK1RARBEPHX2
SCHEMBL6857008 0.78 TDP1 (0.58) FDPSALOX5MAPK1RARBEPHX2
SCHEMBL995490 0.78 NR5A1 (0.53) RARBTP53GAATSHR
SCHEMBL995052 0.78 NR5A1 (0.53) RARBTP53GAATSHR
SCHEMBL2050248 0.74 ALOX5 (0.55) FDPSALOX5MAPK1RARBEPHX2
SCHEMBL23927025 0.73 MAPK1 (0.60) FDPSALOX5MAPK1RARBEPHX2
SCHEMBL13959557 0.73 ALOX5 (0.51) FDPSALOX5MAPK1RARBEPHX2
SCHEMBL11442819 0.73 MAPK1 (0.56) FDPSALOX5MAPK1RARBEPHX2
SCHEMBL4966397 0.72 TDP1 (0.51) FDPSALOX5MAPK1RARBEPHX2
SCHEMBL28520501 0.72 MAPK1 (0.77) FDPSALOX5MAPK1RARBTP53

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 FDPS 3418/4885ALOX5 3991/4885MAPK1 1483/4885

“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.