SCHEMBL10031363

SCHEMBL10031363

Cc1ccc2cc3c(cc2c1)sc1c2cc4ccc(C)cc4cc2sc31

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.52
CYP1A2 P05177 6/20 0.52
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL10031388 1.00 CYP2A6 (0.52) CYP2A6CYP1A2TDP1ALDH1A1KDM4E
SCHEMBL17037120 1.00 CYP2A6 (0.52) CYP2A6CYP1A2TDP1ALDH1A1KDM4E
SCHEMBL12796848 0.98 CYP2A6 (0.50) CYP2A6CYP1A2TDP1ALDH1A1KDM4E
SCHEMBL18405844 0.96 CYP2A6 (0.48) CYP2A6CYP1A2TDP1ALDH1A1KDM4E
SCHEMBL12797653 0.94 CYP2A6 (0.46) CYP2A6CYP1A2TDP1ALDH1A1KDM4E
SCHEMBL12430718 0.94 CYP2A6 (0.55) CYP2A6CYP1A2TDP1ALDH1A1KDM4E
SCHEMBL12797478 0.94 CYP2A6 (0.46) CYP2A6CYP1A2TDP1ALDH1A1KDM4E
SCHEMBL12797655 0.93 CYP2A6 (0.45) CYP2A6CYP1A2TDP1ALDH1A1KDM4E
SCHEMBL22000098 0.93 CYP2A6 (0.53) CYP2A6CYP1A2TDP1ALDH1A1KDM4E
SCHEMBL20111019 0.93 CYP2A6 (0.53) CYP2A6CYP1A2TDP1ALDH1A1KDM4E

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3471160-A1 COMPOSITION FOR PRODUCING ORGANIC SEMICONDUCTOR DEVICES Daicel Corporation (JP) 2019-04-17 EP disclosed
US-20180122585-A1 PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL USING THE SAME FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed
US-9911927-B2 Compounds having semiconducting properties and related compositions and devices FLEXTERRA, INC. (US) 2018-03-06 US disclosed
US-20170346018-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, ORGANIC THIN FILM TRANSISTOR, ELECTRONIC PAPER, AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2017-11-30 US disclosed
US-9818946-B2 Film and organic semiconductor device containing the film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
US-20170317296-A1 ORGANIC SEMICONDUCTOR COMPOSITION AND METHOD FOR MANUFACTURING ORGANIC SEMICONDUCTOR ELEMENT FUJIFILM CORPORATION (JP) 2017-11-02 US disclosed
US-9796727-B2 Field effect transistor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2017-10-24 US disclosed
US-20170288152-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR FILM, MANUFACTURING METHOD THEREOF, ORGANIC SEMICONDUCTOR ELEMENT, AND MANUFACTURING METHOD THEREOF FUJIFILM CORPORATION (JP) 2017-10-05 US disclosed
EP-3193383-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR FILM AND METHOD FOR MANUFACTURING SAME, AND ORGANIC SEMICONDUCTOR COMPOUND Fujifilm Corporation (JP) 2017-07-19 EP disclosed
US-20170170399-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR ELEMENT, AND METHOD FOR MANUFACTURING ORGANIC SEMICONDUCTOR ELEMENT FUJIFILM CORPORATION (JP) 2017-06-15 US disclosed
US-20120313081-A1 ELECTRONIC DEVICE XEROX CORPORATION (US) 2012-12-13 US disclosed
US-20120271052-A1 ELECTROLUMINESCENT THIOPHENE DERIVATIVES LOMOX LIMITED (GB) 2012-10-25 US disclosed
US-20120271052-A1 ELECTROLUMINESCENT THIOPHENE DERIVATIVES LOMOX LIMITED (GB) 2012-10-25 US disclosed
US-20120261648-A1 SEMICONDUCTOR COMPOSITION XEROX CORPORATION (US) 2012-10-18 US disclosed
US-8232546-B2 Fused polycyclic aromatic compound, process for producing the same, and use thereof HIROSHIMA UNIVERSITY (JP) 2012-07-31 US disclosed
US-8232546-B2 Fused polycyclic aromatic compound, process for producing the same, and use thereof HIROSHIMA UNIVERSITY (JP) 2012-07-31 US disclosed
US-20120161110-A1 SEMICONDUCTOR COMPOSITION XEROX CORPORATION (US) 2012-06-28 US disclosed
WO-2011039505-A1 ELECTROLUMINESCENT THIOPHENE DERIVATIVES LOMOX LIMITED (GB) 2011-04-07 WO disclosed
US-20100065826-A1 NOVEL FUSED POLYCYCLIC AROMATIC COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
US-20100065826-A1 NOVEL FUSED POLYCYCLIC AROMATIC COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-03-18 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 (3 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-20180122585-A1 PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL USING THE SAME SUN2, SLC9A2, SLC43A3 CYP2A6 2427/4885CYP1A2 1193/4885TDP1 3711/4885
US-20120271052-A1 ELECTROLUMINESCENT THIOPHENE DERIVATIVES AR, NR2E3, NES CYP2A6 2867/4885CYP1A2 3437/4885TDP1 2043/4885
US-20100065826-A1 NOVEL FUSED POLYCYCLIC AROMATIC COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF ZFX, BMX, CYP4X1 CYP2A6 878/4885CYP1A2 615/4885TDP1 4327/4885

“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.