SCHEMBL9914792

SCHEMBL9914792

Brc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.54
▸ ESR1 P03372 3/20 0.42
▸ ESR2 Q92731 3/20 0.42
▸ GSTP1 P09211 1/20 0.42
▸ ALOX5 P09917 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ HSD17B1 P14061 1/20 0.40
▸ HSD17B2 P37059 1/20 0.40
▸ PDE9A O76083 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ IKBKB O14920 1/20 0.39
▸ GPR84 Q9NQS5 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39

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
SCHEMBL30089377 1.00 CYP2A6 (0.54) CYP2A6ESR1ESR2GSTP1ALOX5
SCHEMBL28498111 0.94 CYP2A6 (0.52) CYP2A6ESR1ESR2GSTP1ALOX5
SCHEMBL10041708 0.90 CYP2A6 (0.47) CYP2A6ESR1ESR2GSTP1ALOX5
SCHEMBL1191770 0.89 CYP2A6 (0.55) CYP2A6ESR1ESR2GSTP1ALOX5
SCHEMBL30200392 0.89 CYP2A6 (0.55) CYP2A6ESR1ESR2GSTP1ALOX5
SCHEMBL13085331 0.88 CYP2A6 (0.58) CYP2A6ESR1ESR2GSTP1ALOX5
SCHEMBL4875334 0.88 ESR1 (0.47) CYP2A6ESR1ESR2ALOX5ALDH1A1
SCHEMBL28633756 0.88 CYP2A6 (0.50) CYP2A6ESR1ESR2ALDH1A1MAPK1
SCHEMBL2379728 0.88 ESR1 (0.52) CYP2A6ESR1ESR2GSTP1ALOX5
SCHEMBL29350362 0.88 ESR1 (0.52) CYP2A6ESR1ESR2GSTP1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230013934-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2023-01-19 — — US disclosed
CN-109651065-B Tetraortho-phenylene anthracene compounds 北京夏禾科技有限公司 2022-11-29 — — CN disclosed
US-11201290-B2 Tetraphenylene anthracene compounds Beijing Summer Sprout Technology Co., Ltd. (CN) 2021-12-14 — — US disclosed
US-11201290-B2 Tetraphenylene anthracene compounds Beijing Summer Sprout Technology Co., Ltd. (CN) 2021-12-14 — — US disclosed
CN-111925314-A Carbazole and anthracene-based blue host material capable of emitting light from host 大同煤矿集团有限责任公司 2020-11-13 — — CN disclosed
US-20190115541-A1 TETRAPHENYLENE ANTHRACENE COMPOUNDS Beijing Summer Sprout Technology Co., Ltd. (CN) 2019-04-18 — — US disclosed
US-20190115541-A1 TETRAPHENYLENE ANTHRACENE COMPOUNDS Beijing Summer Sprout Technology Co., Ltd. (CN) 2019-04-18 — — US disclosed
EP-2570412-B1 Novel nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEMICAL LTD (KR) 2017-01-04 — — EP disclosed
US-9309174-B2 Polycyclic ring assembly compound and organic electroluminescent device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2016-04-12 — — US disclosed
US-9309174-B2 Polycyclic ring assembly compound and organic electroluminescent device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2016-04-12 — — US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 — — US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 — — US disclosed
US-7887932-B2 Organosiloxane compound and organic light-emitting device comprising the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-02-15 — — US disclosed
US-7887932-B2 Organosiloxane compound and organic light-emitting device comprising the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-02-15 — — US disclosed
US-20100187512-A1 POLYCYCLIC RING ASSEMBLY COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD (JP) 2010-07-29 — — US disclosed
US-20100187512-A1 POLYCYCLIC RING ASSEMBLY COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD (JP) 2010-07-29 — — US disclosed
US-20070202355-A1 Emitting material and organic light emitting diode using the same LG CHEM. LTD. (KR) 2007-08-30 — — US disclosed
US-20070202355-A1 Emitting material and organic light emitting diode using the same LG CHEM. LTD. (KR) 2007-08-30 — — US disclosed
US-20070048532-A1 Organosiloxane compound and organic light-emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-03-01 — — US disclosed
US-20070048532-A1 Organosiloxane compound and organic light-emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-03-01 — — 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 (5 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-20070048532-A1 Organosiloxane compound and organic light-emitting device comprising the same AOX1, PPOX, SQLE CYP2A6 492/4885ESR1 307/4885ESR2 693/4885
US-20230013934-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CYP1B1, CYP1A1 CYP2A6 96/4885ESR1 95/4885ESR2 537/4885
US-20190115541-A1 TETRAPHENYLENE ANTHRACENE COMPOUNDS TRPA1, SLC29A2, XPOT CYP2A6 1864/4885ESR1 1313/4885ESR2 2483/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 CYP2A6 3417/4885ESR1 255/4885ESR2 1043/4885
US-11201290-B2 Tetraphenylene anthracene compounds TRPA1, SLC29A2, XPOT CYP2A6 1864/4885ESR1 1313/4885ESR2 2483/4885

“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.

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