SCHEMBL543701

SCHEMBL543701

CCc1cc2cc3c(cc2cc1CC)C(O)c1cc2ccccc2cc1C3O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PAX8 Q06710 1/20 0.38
ATM Q13315 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
GRM1 Q13255 1/20 0.34

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
SCHEMBL543208 0.85 GPR84 (0.40) ALDH1A1KDM4EMAPTCYP1A2CYP2A6
SCHEMBL2671730 0.82 GABRA1 (0.38) ALDH1A1KDM4EMAPTCYP1A2CYP2A6
SCHEMBL2671733 0.81 CYP1A2 (0.66) ALDH1A1KDM4EMAPTCYP1A2CYP2A6
SCHEMBL7542307 0.81 CYP2A6 (0.54) ALDH1A1KDM4EMAPTCYP1A2CYP2A6
SCHEMBL1954740 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTCYP1A2CYP2A6
SCHEMBL1954742 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTCYP1A2CYP2A6
SCHEMBL543810 0.80 TLR8 (0.47) ALDH1A1KDM4EMAPTMEN1TP53
SCHEMBL5753168 0.76 GABRA1 (0.46) ALDH1A1KDM4EMAPTCYP1A2CYP2A6
SCHEMBL543508 0.74 HMGCR (0.34) GPR84
SCHEMBL11222343 0.73 KDM4E (0.39) ALDH1A1KDM4EMAPTCYP1A2SMN1; 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
CN-1922123-B Polyacene compound and organic semiconductor thin film ASAHI KASEI FIBERS CORPERATION 2010-05-05 CN disclosed
US-20080061287-A1 Polyacene Compound And Organic Semiconductor Thin Film ASAHI KASEI CORPORATION (JP) 2008-03-13 US 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 ALDH1A1 1714/4885KDM4E 487/4885MAPT 2167/4885
US-20080061287-A1 Polyacene Compound And Organic Semiconductor Thin Film ZRANB2, PUF60, ZKSCAN2 ALDH1A1 1714/4885KDM4E 487/4885MAPT 2167/4885

“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.