SCHEMBL543741

SCHEMBL543741

CCc1cc2cc3c(cc2cc1CC)C(=O)c1cc2ccccc2cc1C3=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP1A2 P05177 3/20 0.42
CYP2A6 P11509 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ELANE P08246 1/20 0.41
ATM Q13315 3/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
ILF3 Q12906 1/20 0.39
GAPDH P04406 1/20 0.39
BCL2 P10415 1/20 0.39

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
SCHEMBL543218 0.86 NPC1 (0.42) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL7542307 0.84 CYP2A6 (0.54) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL2516264 0.82 MEN1 (0.50) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL54876 0.82 MEN1 (0.50) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL10057987 0.82 MEN1 (0.50) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL29364188 0.82 MEN1 (0.56) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL30130196 0.82 MEN1 (0.56) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL354514 0.82 MEN1 (0.56) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL543522 0.81 TLR8 (0.48) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL11236910 0.80 RAB9A (0.67) NPC1RAB9AALDH1A1MAPTSMN1; 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 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 NPC1 3798/4885RAB9A 2631/4885ALDH1A1 1714/4885
US-20080061287-A1 Polyacene Compound And Organic Semiconductor Thin Film ZRANB2, PUF60, ZKSCAN2 NPC1 3798/4885RAB9A 2631/4885ALDH1A1 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.