SCHEMBL543935

SCHEMBL543935

CCCc1cc2cc3c(Cl)c4cc5cc(CCC)c(CCC)cc5cc4c(Cl)c3cc2cc1CCC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.33
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32
ATM Q13315 1/20 0.32
HMGCR P04035 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL543217 0.90 GPR84 (0.41) GPR84ATMALDH1A1
SCHEMBL543728 0.84 ALOX5 (0.41) KCNH2
SCHEMBL27657038 0.81 ALDH1A1 (0.35) PDK2PDK4ALDH1A1
SCHEMBL3466279 0.80 HMGCR (0.38) GPR84ATMHMGCRALDH1A1
SCHEMBL5751431 0.79 HMGCR (0.41) GPR84HMGCR
SCHEMBL4547370 0.78 ALOX5 (0.37) KCNH2
SCHEMBL543504 0.77 GPR84 (0.33) GPR84PDK2PDK4ATMHMGCR
SCHEMBL543932 0.77 TLR8 (0.48) KCNH2ALDH1A1
SCHEMBL543315 0.72 CYP2A6 (0.41) GPR84ATMALDH1A1
SCHEMBL27657068 0.72 ALDH1A1 (0.38) GPR84ATMALDH1A1

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 3305/4885PDK2 2826/4885PDK4 1608/4885
US-20080061287-A1 Polyacene Compound And Organic Semiconductor Thin Film ZRANB2, PUF60, ZKSCAN2 GPR84 3305/4885PDK2 2826/4885PDK4 1608/4885

“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.