SCHEMBL328771

SCHEMBL328771

Cc1[c]c2cc3ccccc3cc2cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 9/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 4/20 0.37
CYP3A4 P08684 3/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HBB P68871 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP1A2 P05177 9/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
HPGD P15428 2/20 0.34
GSTP1 P09211 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL1557252 0.98 CYP2A6 (0.41) CYP2A6TDP1ALDH1A1HSD17B10CYP3A4
SCHEMBL65563 0.79 CYP2A6 (0.37) CYP2A6TDP1ALDH1A1HSD17B10CYP3A4
SCHEMBL5693005 0.79 CYP2A6 (0.37) CYP2A6TDP1ALDH1A1HSD17B10CYP3A4
SCHEMBL15366386 0.76 ALDH1A1 (0.40) CYP2A6TDP1ALDH1A1HSD17B10CYP3A4
SCHEMBL195377 0.75 ALDH1A1 (0.36) CYP2A6TDP1ALDH1A1HSD17B10CYP3A4
SCHEMBL1128123 0.74 CYP2A6 (0.43) CYP2A6TDP1ALDH1A1HSD17B10CYP3A4
SCHEMBL1127451 0.74 CYP2A6 (0.43) CYP2A6TDP1ALDH1A1HSD17B10CYP3A4
SCHEMBL1127747 0.74 CYP2A6 (0.43) CYP2A6TDP1ALDH1A1HSD17B10CYP3A4
SCHEMBL17707233 0.74 ALDH1A1 (0.37) CYP2A6TDP1ALDH1A1HSD17B10CYP3A4
SCHEMBL1128294 0.74 CYP1A2 (0.43) CYP2A6TDP1ALDH1A1HSD17B10CYP3A4

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 1023 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481174-B2 Organic light-emitting compound of CIS-diarylethene derivatives, organic electroluminescent device using the same, and method of manufacturing the device SAMSUNG DISPLAY CO., LTD. (KR) 2013-07-09 US claimed
US-8334391-B2 Functionalized heteroacenes XEROX CORPORATION (US) 2012-12-18 US claimed
US-8119038-B2 Organic electrolyte solution comprising glycidyl ether compound and lithium battery employing the same SAMSUNG SDI CO., LTD. (KR) 2012-02-21 US claimed
US-8012605-B2 Organic light-emitting compound and organic electroluminescent device using the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-09-06 US claimed
US-7906227-B2 Indene derivative compound and organic light emitting device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-03-15 US claimed
US-7901793-B2 Organic light-emitting compound and organic light-emitting device containing the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-03-08 US claimed
US-7887932-B2 Organosiloxane compound and organic light-emitting device comprising the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-02-15 US claimed
US-7879463-B2 low driving voltage, excellent efficiency and improved color purity; excellent electrical properties, thermal stability and photochemical stability SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-02-01 US claimed
US-7879462-B2 exhibits low driving voltage and improved brightness, efficiency, and color purity; excellent electric properties and thermal stability SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-02-01 US claimed
US-7862907-B2 Dimethylenecyclohexane compound, method of preparing the same and organic light emitting device comprising the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-01-04 US claimed
US-20070026258-A1 Dimethylenecyclohexane compound, method of preparing the same and organic light emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-02-01 US claimed
US-20070015003-A1 Difluoropyridine-based compound and organic electroluminescent device using the same SAMSUNG SDI CO.,LTD. 2007-01-18 US claimed
US-20060246317-A1 Aminostyryl compound, method of preparing the same, and organic light emitting device using the aminostyryl compound SAMSUNG DISPLAY CO., LTD. (KR) 2006-11-02 US claimed
US-20060134463-A1 Triarylamine-based compound for organic electroluminescent device and organic electroluminescent device employing the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2006-06-22 US claimed
US-RE31300-E Process for preparing alkyl- or arylphosphonothioic dihalides STAUFFER CHEMICAL COMPANY (US) 1983-07-05 US claimed
US-4130583-A AUTOGENOUS PRESSURE STAUFFER CHEMICAL COMPANY (US) 1978-12-19 US claimed
US-4052463-A PROCESS FOR PREPARING TERTIARY PHOSPHINE SULFIDES AND OXIDES STAUFFER CHEMICAL COMPANY (US) 1977-10-04 US claimed
US-4000190-A FROM DIALKYL OR DIARYL DISULFIDES, PHOSPHORUS, AND PHOSPHORUS TRIHALIDE STAUFFER CHEMICAL COMPANY (US) 1976-12-28 US claimed
US-3968156-A Process for preparing alkyl-or arylphosphonothioic dihalides STAUFFER CHEMICAL COMPANY (US) 1976-07-06 US claimed
US-3962323-A PHOSPHORUS TRIHALIDE STAUFFER CHEMICAL COMPANY (US) 1976-06-08 US claimed

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-20060134463-A1 Triarylamine-based compound for organic electroluminescent device and organic electroluminescent device employing the same TRPC1, SLC7A5, TRPC6 CYP2A6 2283/4885TDP1 2155/4885ALDH1A1 830/4885
US-20070026258-A1 Dimethylenecyclohexane compound, method of preparing the same and organic light emitting device comprising the same CRY1, YTHDC1, EMC1 CYP2A6 312/4885TDP1 2067/4885ALDH1A1 585/4885

“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.