SCHEMBL543522

SCHEMBL543522

CCCCCCc1cc2cc3c(cc2cc1CCCCCC)C(=O)c1cc2ccccc2cc1C3=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.48
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
MAPT P10636 5/20 0.46
PTPN1 P18031 1/20 0.45
ELANE P08246 4/20 0.44
CTSG P08311 2/20 0.44
LIPG Q9Y5X9 1/20 0.44
MEN1 O00255 4/20 0.43
HTT P42858 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
APAF1 O14727 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
STAT6 P42226 1/20 0.43
HIF1A Q16665 1/20 0.43
USP2 O75604 2/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL543220 0.92 ELANE (0.42) TLR8NR1H2NR1H3MAPTPTPN1
SCHEMBL543218 0.86 NPC1 (0.42) TLR8MAPTELANECTSGKDM4E
SCHEMBL5010709 0.86 TLR8 (0.56) TLR8NR1H2NR1H3MAPTLIPG
SCHEMBL6661787 0.86 TLR8 (0.56) TLR8NR1H2NR1H3MAPTLIPG
SCHEMBL11227235 0.86 TLR8 (0.59) TLR8NR1H2NR1H3MAPTLIPG
SCHEMBL11229645 0.86 TLR8 (0.59) TLR8NR1H2NR1H3MAPTLIPG
SCHEMBL17998809 0.85 MAPT (0.48) TLR8NR1H2NR1H3MAPTPTPN1
SCHEMBL17998808 0.84 GPR3 (0.48) MAPTPTPN1GPR3
SCHEMBL28046693 0.84 TLR8 (0.61) TLR8NR1H2NR1H3MAPTLIPG
SCHEMBL543741 0.81 NPC1 (0.50) MAPTELANEMEN1KMT2AKDM4E

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 TLR8 1352/4885NR1H2 3791/4885NR1H3 3476/4885
US-20080061287-A1 Polyacene Compound And Organic Semiconductor Thin Film ZRANB2, PUF60, ZKSCAN2 TLR8 1352/4885NR1H2 3791/4885NR1H3 3476/4885

“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.