SCHEMBL543218

SCHEMBL543218

CCCc1cc2cc3c(cc2cc1CCC)C(=O)c1cc2ccccc2cc1C3=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
ATM Q13315 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ELANE P08246 4/20 0.39
CTSG P08311 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ILF3 Q12906 1/20 0.36
GAPDH P04406 1/20 0.36
TLR8 Q9NR97 1/20 0.36

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
SCHEMBL542989 0.90 ELANE (0.37) NPC1RAB9ALMNAMAPK1SMN1; SMN2
SCHEMBL543741 0.86 NPC1 (0.50) NPC1RAB9ALMNAMAPK1SMN1; SMN2
SCHEMBL543522 0.86 TLR8 (0.48) LMNASMN1; SMN2ALDH1A1MAPTATM
SCHEMBL27587538 0.84 GPR84 (0.44) NPC1RAB9AALDH1A1MAPTGPR84
SCHEMBL5159924 0.84 GPR84 (0.46) NPC1RAB9AALDH1A1MAPTGPR84
SCHEMBL17998806 0.83 NQO2 (0.42) NPC1RAB9ALMNAMAPK1SMN1; SMN2
SCHEMBL17998805 0.82 CYP1A2 (0.48) NPC1RAB9ALMNAMAPK1SMN1; SMN2
SCHEMBL24336330 0.82 ATM (0.50) RAB9AALDH1A1MAPTGPR84ATM
SCHEMBL54876 0.77 MEN1 (0.50) NPC1RAB9ALMNAMAPK1SMN1; SMN2
SCHEMBL2516264 0.77 MEN1 (0.50) NPC1RAB9ALMNAMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1724028-B1 METHOD FOR PREPARING THIN FILM OF CONDENSED POLYCYCLC AROMATIC COMPOUND ASAHI CHEMICAL IND (JP) 2012-02-29 EP disclosed
US-8110714-B2 High mobility, solubility, oxidation resistance; transistor; drain electrodes ASAHI KASEI CORPORATION (JP) 2012-02-07 US disclosed
US-7595093-B2 Condensed polycyclic aromatic compound thin film and method for preparing condensed polycyclic aromatic compound thin film ASAHI KASEI CORPORATION (JP) 2009-09-29 US disclosed
US-20080061287-A1 Polyacene Compound And Organic Semiconductor Thin Film ASAHI KASEI CORPORATION (JP) 2008-03-13 US disclosed
US-20070184574-A1 Condensed polycyclic aromatic compound thin film and method for preparing condensed polycyclic aromatic compound thin film ASAHI KASEI CORPORATION (JP) 2007-08-09 US disclosed
EP-1724028-A1 THIN FILM OF CONDENSED POLYCYCLC AROMATIC COMPOUND, AND METHOD FOR PREPARING THIN FILM OF CONDENSED POLYCYCLC AROMATIC COMPOUND Asahi Kasei Kabushiki Kaisha, Ltd. (JP) 2006-11-22 EP 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 NPC1 3798/4885RAB9A 2631/4885LMNA 3566/4885
US-20080061287-A1 Polyacene Compound And Organic Semiconductor Thin Film ZRANB2, PUF60, ZKSCAN2 NPC1 3798/4885RAB9A 2631/4885LMNA 3566/4885

“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.