SCHEMBL543710

SCHEMBL543710

CCCc1cc2cc3c(Br)c4cc5ccccc5cc4c(Br)c3cc2cc1CCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TLR8 Q9NR97 2/20 0.36
CYP2A6 P11509 2/20 0.34
NQO1 P15559 1/20 0.34
CYP1A2 P05177 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
PDE10A Q9Y233 2/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL543504 0.90 GPR84 (0.33) GPR84ATMALDH1A1KDM4EGAA
SCHEMBL27587538 0.84 GPR84 (0.44) GPR84ATMALDH1A1KDM4EGAA
SCHEMBL5159924 0.84 GPR84 (0.46) GPR84ATMALDH1A1KDM4EGAA
SCHEMBL687356 0.83 GPR84 (0.45) GPR84ATMALDH1A1KDM4EGAA
SCHEMBL27657035 0.82 ALDH1A1 (0.41) GPR84ATMALDH1A1KDM4EGAA
SCHEMBL543217 0.81 GPR84 (0.41) GPR84ATMALDH1A1KDM4EGAA
SCHEMBL24336330 0.78 ATM (0.50) GPR84ATMALDH1A1KDM4EGAA
SCHEMBL2265917 0.77 CYP2A6 (0.50) ALDH1A1KDM4EGAAHPGDCYP2A6
SCHEMBL2461050 0.76 ALDH1A1 (0.57) GPR84ATMALDH1A1KDM4EGAA
SCHEMBL11747119 0.76 GPR84 (0.42) GPR84ATMALDH1A1KDM4EGAA

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 GPR84 3305/4885ATM 2690/4885ALDH1A1 1714/4885
US-20080061287-A1 Polyacene Compound And Organic Semiconductor Thin Film ZRANB2, PUF60, ZKSCAN2 GPR84 3305/4885ATM 2690/4885ALDH1A1 1714/4885

“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.