SCHEMBL5956963

SCHEMBL5956963

Brc1ccc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.44
SIGMAR1 Q99720 6/20 0.37
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PTPN1 P18031 1/20 0.33
POLB P06746 1/20 0.33
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
SCHEMBL17807015 0.96 CYP2A6 (0.41) CYP2A6SIGMAR1ALDH1A1CYP1B1CYP1A2
Naphthalene SCHEMBL5792407 0.90 SIGMAR1 (0.43) CYP2A6SIGMAR1ALDH1A1HSD17B10TSHR
SCHEMBL76085 0.90 SIGMAR1 (0.43) CYP2A6SIGMAR1ALDH1A1HSD17B10TSHR
SCHEMBL13304712 0.90 SIGMAR1 (0.43) CYP2A6SIGMAR1ALDH1A1HSD17B10TSHR
SCHEMBL1456296 0.90 SIGMAR1 (0.43) CYP2A6SIGMAR1ALDH1A1HSD17B10TSHR
SCHEMBL29527290 0.90 SIGMAR1 (0.43) CYP2A6SIGMAR1ALDH1A1HSD17B10TSHR
SCHEMBL13731051 0.90 CYP2A6 (0.49) CYP2A6SIGMAR1ALDH1A1HSD17B10TSHR
SCHEMBL18090351 0.89 CYP2A6 (0.39) CYP2A6SIGMAR1ALDH1A1HSD17B10TSHR
SCHEMBL18090620 0.89 CYP2A6 (0.39) CYP2A6SIGMAR1ALDH1A1HSD17B10TSHR
SCHEMBL12476146 0.89 ALDH1A1 (0.40) CYP2A6SIGMAR1ALDH1A1HSD17B10CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11271175-B2 Organic electronic element comprising compound for organic electronic element, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2022-03-08 US disclosed
US-20200235314-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2020-07-23 US disclosed
US-10658597-B2 Organic electronic element comprising compound for organic electronic element, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2020-05-19 US disclosed
WO-2018012781-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-01-18 WO disclosed
US-20170141311-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-05-18 US disclosed
US-20170141311-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-05-18 US disclosed
US-20160163994-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-06-09 US disclosed
US-20160163994-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-06-09 US disclosed
US-20060061265-A1 Aromatic amine derivative and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2006-03-23 US disclosed
EP-1559706-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-08-03 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-20060061265-A1 Aromatic amine derivative and organic electroluminescent element employing the same LUC7L2, ARL1, ASH2L CYP2A6 1960/4885SIGMAR1 1876/4885ALDH1A1 770/4885
US-20170141311-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME OR51E2, OR10J3, ORAI2 CYP2A6 2487/4885SIGMAR1 3469/4885ALDH1A1 1863/4885

“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.