SCHEMBL542989

SCHEMBL542989

CCCc1cc2cc3c(cc2cc1CCC)C(=O)c1cc2cc(CCC)c(CCC)cc2cc1C3=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.37
CTSG P08311 1/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 3/20 0.33
BRD4 O60885 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
BACE1 P56817 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN11 Q06124 1/20 0.32
ATM Q13315 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL543218 0.90 NPC1 (0.42) ELANECTSGNPC1RAB9AALDH1A1
SCHEMBL543220 0.84 ELANE (0.42) ELANECTSGALDH1A1MAPTLMNA
SCHEMBL3466279 0.80 HMGCR (0.38) ALDH1A1KDM4EGPR84BACE1PTPN1
SCHEMBL543522 0.77 TLR8 (0.48) ELANECTSGALDH1A1MAPTLMNA
SCHEMBL543741 0.74 NPC1 (0.50) ELANENPC1RAB9AALDH1A1MAPT
SCHEMBL17998806 0.73 NQO2 (0.42) ELANECTSGNPC1RAB9AALDH1A1
SCHEMBL17998805 0.71 CYP1A2 (0.48) NPC1RAB9AALDH1A1MAPTL3MBTL1
SCHEMBL9487271 0.71 HMGCR (0.42) ALDH1A1MAPTPTPN1PTPN11HCAR2
SCHEMBL27587538 0.70 GPR84 (0.44) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL5751431 0.70 HMGCR (0.41) MAPTGPR84PTPN1PTPN11MEN1

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 ELANE 1742/4885CTSG 4416/4885NPC1 3798/4885
US-20080061287-A1 Polyacene Compound And Organic Semiconductor Thin Film ZRANB2, PUF60, ZKSCAN2 ELANE 1742/4885CTSG 4416/4885NPC1 3798/4885

“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.