SCHEMBL3107306

SCHEMBL3107306

Oc1ccc2cc(-c3ccc4ccccc4c3)ccc2c1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 11/20 0.83
ESR1 P03372 10/20 0.83
CYP1A2 P05177 2/20 0.81
HSD17B1 P14061 3/20 0.76
HSD17B2 P37059 2/20 0.76
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2B6 P20813 1/20 0.72
CYP2C19 P33261 1/20 0.72
ABL1 P00519 2/20 0.68
ABCB1 P08183 2/20 0.68
BCR P11274 2/20 0.68
ALOX5 P09917 1/20 0.65
CYP19A1 P11511 1/20 0.58
CYP11B1 P15538 1/20 0.58
CYP11B2 P19099 1/20 0.58

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
SCHEMBL14506125 1.00 ESR2 (0.83) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL11978649 0.98 ESR2 (0.80) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL29587268 0.98 ESR2 (0.80) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL29672355 0.91 ESR1 (1.00) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL234529 0.91 ESR1 (1.00) ESR2ESR1CYP1A2HSD17B1HSD17B2
Betanaphthol SCHEMBL27768280 0.90 CYP1A2 (0.90) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL5425451 0.90 ESR2 (0.90) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL30275026 0.90 ESR2 (0.90) ESR2ESR1CYP1A2HSD17B1HSD17B2
Betanaphthol SCHEMBL11594695 0.90 CYP1A2 (1.00) ESR2ESR1CYP1A2HSD17B1HSD17B2
Betanaphthol SCHEMBL239472 0.90 CYP1A2 (1.00) ESR2ESR1CYP1A2HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024526-B2 Fused polycyclic aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2024-07-02 US disclosed
US-12024526-B2 Fused polycyclic aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2024-07-02 US disclosed
US-20230047095-A1 Fused Polycyclic Aromatic Compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2023-02-16 US disclosed
US-10975307-B2 Liquid crystalline epoxy compound with terminal mesogen connected by flexible linkage and method for preparing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-04-13 US disclosed
EP-3214073-B1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME LT MATERIALS CO LTD (KR) 2021-03-10 EP disclosed
US-10672993-B2 Nitrogen-containing polycyclic compound and organic light emitting element using same LT MATERIALS CO., LTD. (KR) 2020-06-02 US disclosed
US-10177319-B2 Nitrogen-containing polycyclic compound and organic light emitting element using same HEESUNG MATERIAL LTD. (KR) 2019-01-08 US disclosed
US-20180201835-A1 LIQUID CRYSTALLINE EPOXY COMPOUND WITH TERMINAL MESOGEN CONNECTED BY FLEXIBLE LINKAGE AND METHOD FOR PREPARING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-07-19 US disclosed
US-20170317295-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME HEESUNG MATERIAL LTD. (KR) 2017-11-02 US disclosed
US-20170317295-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME HEESUNG MATERIAL LTD. (KR) 2017-11-02 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 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-20100256377-A1 ALUMINUM CHELATE COMPLEX FOR ORGANIC EL MATERIAL NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2010-10-07 US disclosed
WO-2010062065-A2 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME 주식회사 엘지화학 (KR) 2010-06-03 WO disclosed
US-20070212569-A1 ORGANOMETALLIC COMPLEX FOR ORGANIC LIGHT-EMITTING LAYER AND ORGANIC LIGHT-EMITTING DIODE USING THE SAME SFC CO., LTD. (KR) 2007-09-13 US disclosed
US-20070108892-A1 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM. LTD. (KR) 2007-05-17 US disclosed
US-20070108892-A1 Binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEM. LTD. (KR) 2007-05-17 US disclosed
WO-2007046658-A1 NEW BINAPHTHALENE DERIVATIVES, PREPARATION METHOD THEREOF AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM. LTD. (KR) 2007-04-26 WO disclosed
US-20070054148-A1 Aluminum chelate complex for organic el material NIPPON STEEL CHEMICAL CO., LTD. (JP) 2007-03-08 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 (8 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-12024526-B2 Fused polycyclic aromatic compound AHR, PAH, H1-2 ESR2 255/4885ESR1 645/4885CYP1A2 59/4885
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 ESR2 1043/4885ESR1 255/4885CYP1A2 1578/4885
US-10672993-B2 Nitrogen-containing polycyclic compound and organic light emitting element using same NPM1, PER2, CRY2 ESR2 718/4885ESR1 232/4885CYP1A2 2080/4885
US-20100256377-A1 ALUMINUM CHELATE COMPLEX FOR ORGANIC EL MATERIAL AP2A1, AP2A2, ELP1 ESR2 64/4885ESR1 140/4885CYP1A2 1669/4885
US-10177319-B2 Nitrogen-containing polycyclic compound and organic light emitting element using same NPM1, PER2, CRY2 ESR2 718/4885ESR1 232/4885CYP1A2 2080/4885
US-20230047095-A1 Fused Polycyclic Aromatic Compound AHR, PAH, H1-2 ESR2 220/4885ESR1 687/4885CYP1A2 60/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 ESR2 1043/4885ESR1 255/4885CYP1A2 1578/4885
US-20170317295-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME NPM1, PER2, CRY2 ESR2 718/4885ESR1 232/4885CYP1A2 2080/4885

“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.