SCHEMBL3116089

SCHEMBL3116089

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ THRB P10828 1/20 0.39
▸ STAT3 P40763 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ TSHR P16473 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ DHFR P00374 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL27629845 0.98 CYP1A2 (0.38) CYP1A2ALDH1A1HPGDHSD17B10THRB
Pyrene SCHEMBL223706 0.89 ALDH1A1 (0.44) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL27632584 0.88 ALDH1A1 (0.36) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL11896250 0.87 STAT3 (0.32) STAT3STAT1
Pyrene SCHEMBL27924575 0.87 CYP1A2 (0.42) CYP1A2ALDH1A1HPGDHSD17B10THRB
Triphenylene SCHEMBL28084435 0.84 STAT3 (0.44) CYP1A2ALDH1A1HPGDHSD17B10STAT3
SCHEMBL9718813 0.84 STAT3 (0.41) STAT3STAT1
Phenanthrene SCHEMBL28319018 0.83 ALDH1A1 (0.46) CYP1A2ALDH1A1HPGDHSD17B10STAT3
Triphenylene SCHEMBL28121394 0.82 STAT3 (0.46) CYP1A2ALDH1A1HPGDHSD17B10STAT3
SCHEMBL9298253 0.82 GSK3B (0.42) CYP1A2STAT3STAT1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102713572-A single molecule detection device IND TECH RES INST 2012-10-03 — — CN claimed
CN-101844760-B Preparation method and application of redox graphene CHINESE ACAD INST CHEMISTRY 2012-09-05 — — CN claimed
CN-100424084-C (Zinc) porphyrin - perylene diimide ( PDI) - C60 ternary system and its synthesis method CHINESE ACAD INST CHEMISTRY (CN) 2008-10-08 — — CN claimed
CN-1704415-A (Zinc) porphyrin - perylene diimide ( PDI) - C60 ternary system and its synthesis method CHINESE ACAD INST CHEMISTRY (CN) 2005-12-07 — — CN claimed
CN-110143976-B Synthesis method and application of branched porphyrin-perylene diimide-based small molecule receptor 湘潭大学 2021-11-02 — — CN disclosed
CN-110143976-B Synthesis method and application of branched porphyrin-perylene diimide-based small molecule receptor 湘潭大学 2021-11-02 — — CN disclosed
CN-110143976-B Synthesis method and application of branched porphyrin-perylene diimide-based small molecule receptor 湘潭大学 2021-11-02 — — CN disclosed
CN-110183447-B Synthesis of asymmetric non-fullerene receptor and printing preparation of solar cell thereof 湘潭大学 2021-04-20 — — CN disclosed
EP-2676126-B1 RAMAN SCATTERING NANOPROBES, METHOD FOR PREPARATION AND METHOD OF PERFORMING A RAMAN INVESTIGATION VALORISATION RECH LIMITED PARTNERSHIP (CA) 2019-07-03 — — EP disclosed
US-10209194-B2 Raman scattering nanoprobes VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2019-02-19 — — US disclosed
US-20160299082-A1 RAMAN SCATTERING NANOPROBES VALORISATION-RECHERCHE, LIMITED PARTNERSHIP 2016-10-13 — — US disclosed
US-9395305-B2 Raman scattering nanoprobes VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2016-07-19 — — US disclosed
CN-1459127-A Light harvesting arrays UNIV NORTH CAROLINA STATE (US) 2003-11-26 — — CN disclosed
CN-1457515-A Solar cell incorporating light harvesting array UNIV NORTH CAROLINA STATE (US) 2003-11-19 — — CN disclosed
US-6596935-B2 Chromophores absorb light and exhibit intrinsic molecular level rectification in the flow of excited-state energy and ground-state holes NORTH CAROLINA STATE UNIVERSITY 2003-07-22 — — US disclosed
US-20030075216-A1 Synthesis of perylene-porphyrin building blocks and polymers thereof for the production of light-harvesting arrays NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-24 — — US disclosed
US-20030075216-A1 Synthesis of perylene-porphyrin building blocks and polymers thereof for the production of light-harvesting arrays NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-24 — — US disclosed
US-20020185173-A1 Solar cells incorporating light harvesting arrays NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2002-12-12 — — US disclosed
US-6420648-B1 SOLAR CELLS NORTH CAROLINA STATE UNIVERSITY 2002-07-16 — — US disclosed
US-6407330-B1 A CIRCUIT ELECTRICALLY COUPLED TO SAID SOLAR CELL; LIGHT HARVESTING RODS OF NON-DISCOTIC BACKBONE POLYMER CONTAINING CHROMOPHORE GROUPS NORTH CAROLINA STATE UNIVERSITY 2002-06-18 — — US disclosed
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