SCHEMBL995050

SCHEMBL995050

CCCCCCOc1ccc(CO[PH](=O)OCc2ccc(OCCCCCC)c(CC)c2CC)c(CC)c1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.38
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NR5A1 Q13285 1/20 0.36
SMPD1 P17405 4/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PLA2G2D Q9UNK4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL995488 1.00 S1PR3 (0.38) S1PR3MEN1NR1I2LMNACHRM2
SCHEMBL997825 0.82 ALOX5 (0.41) MEN1LMNACHRM2CYP3A4ADRA2A
SCHEMBL998129 0.82 ALOX5 (0.41) MEN1LMNACHRM2CYP3A4ADRA2A
SCHEMBL8927408 0.79 TAAR1 (0.35) MAPTALDH1A1HPGD
SCHEMBL996013 0.79 HDAC3 (0.36) HDAC6
SCHEMBL8399366 0.78 MAPT (0.49) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL995340 0.78
SCHEMBL29022594 0.75 LTB4R (0.43) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL995491 0.72 NOS3 (0.31)
SCHEMBL2485972 0.71

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 S1PR3 4470/4885MEN1 535/4885NR1I2 477/4885

“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.