SCHEMBL6076850

SCHEMBL6076850

Clc1ccc2c3cccc4c(Cl)ccc(c5cccc1c52)c43

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.58
CYP2A6 P11509 4/20 0.58
TYMS P04818 3/20 0.50
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.45
ERCC1 P07992 1/20 0.45
ALOX12 P18054 1/20 0.45
FEN1 P39748 1/20 0.45
ERCC4 Q92889 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NR4A2 P43354 1/20 0.44
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
THRB P10828 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.37

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
SCHEMBL29958600 1.00 CYP1A2 (0.58) CYP1A2CYP2A6TYMSALDH1A1KDM4E
SCHEMBL29958296 1.00 CYP1A2 (0.58) CYP1A2CYP2A6TYMSALDH1A1KDM4E
SCHEMBL22211958 0.83 CYP1A2 (0.68) CYP1A2CYP2A6TYMSALDH1A1HPGD
SCHEMBL30366723 0.82 CYP1A2 (0.67) CYP1A2CYP2A6TYMSALDH1A1KDM4E
SCHEMBL20356035 0.82 CYP1A2 (0.67) CYP1A2CYP2A6TYMSALDH1A1KDM4E
SCHEMBL28658521 0.79 CYP1A2 (0.54) CYP1A2CYP2A6TYMSALDH1A1KDM4E
SCHEMBL29650355 0.79 CYP1A2 (0.54) CYP1A2CYP2A6TYMSALDH1A1KDM4E
SCHEMBL29360179 0.76 CYP1A2 (0.55) CYP1A2CYP2A6TYMSALDH1A1KDM4E
SCHEMBL176331 0.76 CYP1A2 (0.55) CYP1A2CYP2A6TYMSALDH1A1KDM4E
SCHEMBL17841964 0.74 HPRT1 (0.58) CYP1A2CYP2A6ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108976237-B Preparation method and application of perylene acid drug molecule with anti-tumor activity 广东君奇医药科技有限公司 2021-01-26 CN claimed
CN-108976237-B Preparation method and application of perylene acid drug molecule with anti-tumor activity 广东君奇医药科技有限公司 2021-01-26 CN disclosed
EP-2890668-B1 PERYLENE DERIVATIVES AS BUILDING BLOCKS FOR ORGANIC ELECTRONIC MATERIALS AND DYESTUFF BASF SE (DE) 2019-08-21 EP disclosed
US-9382264-B2 Conveniently prepared naphthalene and perylene derivatives as building blocks for organic electronic materials and dyestuff BASF SE (DE) 2016-07-05 US disclosed
US-20150225418-A1 CONVENIENTLY PREPARED NAPHTHALENE AND PERYLENE DERIVATIVES AS BUILDING BLOCKS FOR ORGANIC ELECTRONIC MATERIALS AND DYESTUFF BASF SE (DE) 2015-08-13 US disclosed
EP-2890668-A2 CONVENIENTLY PREPARED NAPHTHALENE AND PERYLENE DERIVATIVES AS BUILDING BLOCKS FOR ORGANIC ELECTRONIC MATERIALS AND DYESTUFF BASF SE (DE) 2015-07-08 EP disclosed
WO-2014033622-A2 CONVENIENTLY PREPARED NAPHTHALENE AND PERYLENE DERIVATIVES AS BUILDING BLOCKS FOR ORGANIC ELECTRONIC MATERIALS AND DYESTUFF BASF SE (DE) 2014-03-06 WO disclosed
US-7125614-B2 Organic electroluminescent device SAMSUNG SDI CO., LTD. (KR) 2006-10-24 US disclosed
US-20040142209-A1 Organic electroluminescent device NEC CORPORATION (JP) 2004-07-22 US disclosed
US-6753097-B2 RED LIGHT EMISSION SAMSUNG SDI CO., LTD. (KR) 2004-06-22 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
US-5654367-A ALTERNATING POLYIMIDE OR POLYAMIDEIMIDE COPOLYMER USEFUL AS PHOTOSENSITIVE MATERIAL IN SPATIAL LIGHT MODULATOR MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1997-08-05 US disclosed
US-5597889-A POLYIMIDES MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1997-01-28 US disclosed
US-5486442-A Organic polymer and preparation and use in crystal spatial light modulator MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1996-01-23 US disclosed
EP-0449117-A2 Organic polymer and preparation and use thereof MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1991-10-02 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 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 (1 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-20150225418-A1 CONVENIENTLY PREPARED NAPHTHALENE AND PERYLENE DERIVATIVES AS BUILDING BLOCKS FOR ORGANIC ELECTRONIC MATERIALS AND DYESTUFF NR0B2, NR0B1, OR10J3 CYP1A2 27/4885CYP2A6 1784/4885TYMS 3262/4885

“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.