SCHEMBL6552445

SCHEMBL6552445

[c]1cccc2cc3c(ccc4ccccc43)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
HSD17B10 Q99714 3/20 0.61
CYP1B1 Q16678 2/20 0.61
HIF1A Q16665 1/20 0.61
CYP1A2 P05177 3/20 0.47
HPGD P15428 2/20 0.47
CYP2A6 P11509 2/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPRT1 P00492 3/20 0.43
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37
CYP1A1 P04798 1/20 0.37
MAPT P10636 1/20 0.37
PAX8 Q06710 1/20 0.36
TRPM4 Q8TD43 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL1901239 0.92 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL27813028 0.90 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL264415 0.89 ALDH1A1 (0.45) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL3326052 0.89 ALDH1A1 (0.45) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL18221904 0.89 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL21464320 0.86 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL194896 0.85 ALDH1A1 (0.45) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL18221906 0.82 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL20773872 0.81 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL756551 0.81 CYP2A6 (0.32) CYP2A6

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703762-B2 Compound, material for organic electroluminescence device, organic electroluminescence device and electronic apparatus IDEMITSU KOSAN CO., LTD. (JP) 2020-07-07 US disclosed
US-20190194219-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS EQUIPPED WITH SAME IDEMITSU KOSAN CO., LTD. (JP) 2019-06-27 US disclosed
EP-2924029-B1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO (JP) 2018-12-12 EP disclosed
US-20180339994-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO., LTD. (JP) 2018-11-29 US disclosed
US-20180212159-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 US disclosed
US-20180198077-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-07-12 US disclosed
US-9947879-B2 Anthracene derivative and organic electroluminescence element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-04-17 US disclosed
US-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20150325800-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-11-12 US disclosed
EP-2924029-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME Idemitsu Kosan Co., Ltd (JP) 2015-09-30 EP disclosed
CN-101328264-B Process for producing polycarbonate using ion liquid supported catalysts UNIV ZHEJIANG 2010-12-15 CN disclosed
CN-101328264-A Process for producing polycarbonate using ion liquid supported catalysts UNIV ZHEJIANG (CN) 2008-12-24 CN disclosed
EP-0913456-B1 Working fluid for refrigerating cycle equipment and the refrigerating cycle equipment using the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2004-02-18 EP disclosed
CN-1092785-C Connection method of refrigeration system MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2002-10-16 CN disclosed
CN-1361398-A Refrigerating system and its connecting method MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2002-07-31 CN disclosed
US-6268317-B1 HALOGEN-FREE HYDROCARBON MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2001-07-31 US disclosed
CN-1161440-A Refrigeration system and connection method thereof MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 1997-10-08 CN 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 (7 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-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME L1CAM, H1-10, H1-0 ALDH1A1 605/4885HSD17B10 901/4885CYP1B1 556/4885
US-20180198077-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME ANXA1, ANXA11, L1CAM ALDH1A1 175/4885HSD17B10 1723/4885CYP1B1 276/4885
US-20150325800-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME ANXA1, ANXA11, L1CAM ALDH1A1 175/4885HSD17B10 1723/4885CYP1B1 276/4885
US-20180212159-A1 ORGANIC ELECTROLUMINESCENT ELEMENT EML4, EPCAM, L1CAM ALDH1A1 533/4885HSD17B10 2758/4885CYP1B1 3732/4885
US-20180339994-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PIEZO1, OR10J3, EPCAM ALDH1A1 145/4885HSD17B10 3224/4885CYP1B1 955/4885
US-20190194219-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS EQUIPPED WITH SAME OR10J3, EML4, AOC2 ALDH1A1 174/4885HSD17B10 1437/4885CYP1B1 1321/4885
US-10703762-B2 Compound, material for organic electroluminescence device, organic electroluminescence device and electronic apparatus PIEZO1, OR10J3, EPCAM ALDH1A1 145/4885HSD17B10 3224/4885CYP1B1 955/4885

“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.