SCHEMBL995490

SCHEMBL995490

CCCCCCCCCCOc1ccc(C(CC)(CC)O[PH](=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.53
TP53 P04637 2/20 0.51
TSHR P16473 1/20 0.51
PLA2G4B P0C869 6/20 0.50
RARB P10826 3/20 0.48
LTA4H P09960 1/20 0.46
PLA2G4A P47712 1/20 0.46
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL995052 1.00 NR5A1 (0.53) NR5A1TP53TSHRPLA2G4BRARB
SCHEMBL997826 0.81 ESR1 (0.49) TP53RARBLMNAHSD17B10
SCHEMBL998130 0.81 ESR1 (0.49) TP53RARBLMNAHSD17B10
SCHEMBL2948040 0.78 ALDH1A1 (0.42) NPC1LMNAMAPTALOX15RAB9A
SCHEMBL996014 0.78 FDPS (0.43) TP53TSHRRARBGAA
SCHEMBL8936597 0.75 NR5A1 (0.79) NR5A1TP53TSHRPLA2G4BRARB
SCHEMBL5473083 0.75 NR5A1 (0.79) NR5A1TP53TSHRPLA2G4BRARB
SCHEMBL10943900 0.75 NR5A1 (0.79) NR5A1TP53TSHRPLA2G4BRARB
SCHEMBL2829024 0.75 NR5A1 (0.79) NR5A1TP53TSHRPLA2G4BRARB
SCHEMBL28373061 0.75 NR5A1 (0.79) NR5A1TP53TSHRPLA2G4BRARB

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 NR5A1 1545/4885TP53 4439/4885TSHR 2803/4885

“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.