SCHEMBL543501

SCHEMBL543501

CCCCCCc1cc2cc3c(Br)c4cc5cc(CCCCCC)c(CCCCCC)cc5cc4c(Br)c3cc2cc1CCCCCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.41
TYR P14679 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TLR8 Q9NR97 8/20 0.39
LIPG Q9Y5X9 1/20 0.38
PTGS2 P35354 5/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL5753759 0.84 ALOX5 (0.52) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL543504 0.84 GPR84 (0.33)
SCHEMBL3110488 0.83 ALOX5 (0.48) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL5012407 0.82 ALOX5 (0.42) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL543728 0.81 ALOX5 (0.41) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL28453738 0.77 ALOX5 (0.47) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL28460292 0.77 ALOX5 (0.47) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL5749320 0.77 TLR8 (0.50) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL16807676 0.77 KDM4E (0.39) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL543710 0.76 GPR84 (0.41) MAPTTLR8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719749-B1 POLYACENE COMPOUND AND ORGANIC SEMICONDUCTOR THIN FILM ASAHI CHEMICAL IND (JP) 2016-08-24 EP disclosed
US-8236998-B2 Polyacene compound and organic semiconductor thin film ASAHI KASEI CORPORATION (JP) 2012-08-07 US disclosed
US-20120108850-A1 POLYACENE COMPOUND AND ORGANIC SEMICONDUCTOR THIN FILM NAGATA KAZUTO (JP) 2012-05-03 US disclosed
US-8110714-B2 High mobility, solubility, oxidation resistance; transistor; drain electrodes ASAHI KASEI CORPORATION (JP) 2012-02-07 US disclosed
US-20080061287-A1 Polyacene Compound And Organic Semiconductor Thin Film ASAHI KASEI CORPORATION (JP) 2008-03-13 US disclosed
EP-1719749-A1 POLYACENE COMPOUND AND ORGANIC SEMICONDUCTOR THIN FILM Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2006-11-08 EP 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-20120108850-A1 POLYACENE COMPOUND AND ORGANIC SEMICONDUCTOR THIN FILM ZRANB2, PUF60, ZKSCAN2 ALOX5 1486/4885TYR 469/4885MEN1 2970/4885
US-20080061287-A1 Polyacene Compound And Organic Semiconductor Thin Film ZRANB2, PUF60, ZKSCAN2 ALOX5 1486/4885TYR 469/4885MEN1 2970/4885

“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.