SCHEMBL2396650

SCHEMBL2396650

CCCCCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(OCCCCCC)cc4)s3)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.56
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP1A2 P05177 1/20 0.55
RARB P10826 3/20 0.54
LTA4H P09960 3/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.49
PLA2G4B P0C869 1/20 0.49
APP P05067 1/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL3791496 1.00 NR5A1 (0.56) NR5A1CYP3A4CYP2D6CYP1A2RARB
SCHEMBL16552798 0.98 NR5A1 (0.58) NR5A1CYP3A4CYP2D6CYP1A2RARB
SCHEMBL13309870 0.98 NR5A1 (0.58) NR5A1CYP3A4CYP2D6CYP1A2RARB
SCHEMBL16552630 0.96 CYP2D6 (0.58) NR5A1CYP3A4CYP2D6CYP1A2RARB
SCHEMBL16558130 0.92 NR5A1 (0.51) NR5A1CYP3A4CYP2D6CYP1A2RARB
SCHEMBL16558135 0.92 NR5A1 (0.51) NR5A1CYP3A4CYP2D6CYP1A2RARB
SCHEMBL16558134 0.90 CYP3A4 (0.53) NR5A1CYP3A4CYP2D6CYP1A2RARB
SCHEMBL8984070 0.89 CYP3A4 (0.56) NR5A1CYP3A4CYP2D6CYP1A2RARB
SCHEMBL1102342 0.87 CYP3A4 (0.50) NR5A1CYP3A4CYP2D6CYP1A2RARB
SCHEMBL11015078 0.86 CYP2D6 (0.49) NR5A1CYP3A4CYP2D6CYP1A2RARB

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943239-B1 PHENYLENE-THIOPHENE OLIGOMERS AS ORGANIC SEMICONDUCTORS BASF SE (DE) 2011-11-09 EP claimed
EP-1943239-A1 PHENYLENE-THIOPHENE OLIGOMERS AS ORGANIC SEMICONDUCTORS BASF SE (DE) 2008-07-16 EP claimed
EP-1943688-A1 LIQUID PHASE FABRICATION OF ACTIVE DEVICES INCLUDING ORGANIC SEMICONDUCTORS BASF SE (DE) 2008-07-16 EP claimed
EP-1943690-A1 ORGANIC COMPOSITIONS BASF SE (DE) 2008-07-16 EP claimed
WO-2007039575-A1 LIQUID PHASE FABRICATION OF ACTIVE DEVICES INCLUDING ORGANIC SEMICONDUCTORS BASF SE (DE) 2007-04-12 WO claimed
WO-2007039547-A1 ORGANIC COMPOSITIONS BASF SE (DE) 2007-04-12 WO claimed
WO-2007039574-A1 PHENYLENE-THIOPHENE OLIGOMERS AS ORGANIC SEMICONDUCTORS BASF SE (DE) 2007-04-12 WO claimed
US-20070078267-A1 Organic semiconductors ALCATEL-LUCENT USA INC. 2007-04-05 US claimed
US-20070077681-A1 Liquid phase fabrication of active devices including organic semiconductors ALCATEL-LUCENT USA INC. 2007-04-05 US claimed
US-20070075630-A1 Organic compositions BASF AKTIENGESELLSCHAFT (DE) 2007-04-05 US claimed
EP-1943239-B1 PHENYLENE-THIOPHENE OLIGOMERS AS ORGANIC SEMICONDUCTORS BASF SE (DE) 2011-11-09 EP disclosed
US-20110215306-A1 ORGANIC SEMICONDUCTOR ELEMENT AND ORGANIC ELECTRODE RICOH COMPANY, LTD. (JP) 2011-09-08 US disclosed
US-20110215306-A1 ORGANIC SEMICONDUCTOR ELEMENT AND ORGANIC ELECTRODE RICOH COMPANY, LTD. (JP) 2011-09-08 US disclosed
US-20110215306-A1 ORGANIC SEMICONDUCTOR ELEMENT AND ORGANIC ELECTRODE RICOH COMPANY, LTD. (JP) 2011-09-08 US disclosed
EP-2363904-A2 Organic semiconductor element and organic electrode Ricoh Company, Limited (JP) 2011-09-07 EP disclosed
US-20070078267-A1 Organic semiconductors ALCATEL-LUCENT USA INC. 2007-04-05 US disclosed
US-20070078267-A1 Organic semiconductors ALCATEL-LUCENT USA INC. 2007-04-05 US disclosed
US-20070077681-A1 Liquid phase fabrication of active devices including organic semiconductors ALCATEL-LUCENT USA INC. 2007-04-05 US disclosed
US-20070077681-A1 Liquid phase fabrication of active devices including organic semiconductors ALCATEL-LUCENT USA INC. 2007-04-05 US disclosed
US-20070075630-A1 Organic compositions BASF AKTIENGESELLSCHAFT (DE) 2007-04-05 US 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 (2 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-20070078267-A1 Organic semiconductors ORC3, C1S, C5 NR5A1 4425/4885CYP3A4 1717/4885CYP2D6 3097/4885
US-20070075630-A1 Organic compositions BPNT1, RFT1, FERMT2 NR5A1 3002/4885CYP3A4 926/4885CYP2D6 1780/4885

“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.