SCHEMBL346785

SCHEMBL346785

Cn1c(=O)c2ccccc2c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.65
ERCC1 P07992 1/20 0.55
FEN1 P39748 1/20 0.55
ERCC4 Q92889 1/20 0.55
PGR P06401 3/20 0.55
RORA P35398 1/20 0.55
RORC P51449 1/20 0.55
RORB Q92753 1/20 0.55
ALDH1A1 P00352 6/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 2/20 0.53
NR1H3 Q13133 1/20 0.53
KDM4E B2RXH2 5/20 0.52
NQO2 P16083 1/20 0.52
CDC25A P30304 1/20 0.51
CDC25C P30307 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL31276757 1.00 GPR3 (0.65) GPR3ERCC1FEN1ERCC4PGR
SCHEMBL11188527 0.87 ATM (0.56) GPR3ERCC1FEN1ERCC4PGR
SCHEMBL862547 0.85 TDP1 (0.54) GPR3ERCC1FEN1ERCC4PGR
SCHEMBL10025822 0.84 CDC25A (0.50) GPR3ERCC1FEN1ERCC4PGR
SCHEMBL31277399 0.83 KDM4E (0.50) GPR3ERCC1FEN1ERCC4PGR
SCHEMBL31276769 0.83 KDM4E (0.50) GPR3ERCC1FEN1ERCC4PGR
SCHEMBL18381839 0.83 GPR3 (0.94) GPR3ERCC1FEN1ERCC4ALDH1A1
SCHEMBL31276599 0.82 KMT2A (0.54) GPR3ERCC1FEN1ERCC4PGR
SCHEMBL24548166 0.82 GPR3 (0.73) GPR3ERCC1FEN1ERCC4ALDH1A1
SCHEMBL15562548 0.82 MAPK14 (0.49) GPR3ERCC1FEN1ERCC4SMN1; SMN2

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-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2021-05-20 US claimed
WO-2018163217-A2 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-09-13 WO claimed
US-11713319-B2 Compounds having valerolactam structures MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11046889-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2021-06-29 US disclosed
US-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2021-05-20 US disclosed
US-10919870-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2021-02-16 US disclosed
US-10649124-B2 Composition including compound having mesogenic group, polymer and optically anisotropic body obtained by polymerizing polymerizable composition, and phase difference film DIC CORPORATION (JP) 2020-05-12 US disclosed
US-20190025490-A1 COMPOSITION INCLUDING COMPOUND HAVING MESOGENIC GROUP, POLYMER AND OPTICALLY ANISOTROPIC BODY OBTAINED BY POLYMERIZING POLYMERIZABLE COMPOSITION, AND PHASE DIFFERENCE FILM DIC CORPORATION (JP) 2019-01-24 US disclosed
WO-2018163217-A2 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-09-13 WO disclosed
EP-3346304-A1 COMPOSITION INCLUDING COMPOUND HAVING MESOGENIC GROUP, POLYMER AND OPTICALLY ANISOTROPIC BODY OBTAINED BY POLYMERIZING POLYMERIZABLE COMPOSITION, AND PHASE DIFFERENCE FILM DIC Corporation (JP) 2018-07-11 EP disclosed
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER DIC CORPORATION (JP) 2018-01-25 US disclosed
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-08-11 US disclosed
EP-2241547-A1 Method for producing aromatic compound polymer Sumitomo Chemical Company, Limited (JP) 2010-10-20 EP disclosed
EP-2241548-A1 Vanadium di-nuclear complex Sumitomo Chemical Company, Limited (JP) 2010-10-20 EP disclosed
US-20090018309-A1 Method for Producing Aromatic Compound Polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-15 US disclosed
US-20080234254-A1 Inhibitors of Histone Deacetylase UNIVERSITY OF LEEDS (GB) 2008-09-25 US disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 US disclosed
EP-1767560-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER Sumitomo Chemical Company, Limited (JP) 2007-03-28 EP disclosed
US-4020073-A Process for O-acylating thallus salts of 2-pyridone TAYLOR EDWARD C 1977-04-26 US disclosed
US-3947488-A O-Acylation using organothallium compounds TAYLOR EDWARD C 1976-03-30 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 (9 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-11713319-B2 Compounds having valerolactam structures ACE, CYP3A4, CYP2D6 GPR3 2728/4885ERCC1 997/4885FEN1 1332/4885
US-20090018309-A1 Method for Producing Aromatic Compound Polymer PAH, MAOA, AHR GPR3 3119/4885ERCC1 412/4885FEN1 1803/4885
US-20080234254-A1 Inhibitors of Histone Deacetylase HDAC8, HDAC4, HDAC5 GPR3 4008/4885ERCC1 2825/4885FEN1 1684/4885
US-10919870-B2 Polymerizable compound and optically anisotropic body ZYX, ZW10, DPY30 GPR3 3326/4885ERCC1 187/4885FEN1 718/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 GPR3 4643/4885ERCC1 2241/4885FEN1 2516/4885
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER SMC4, MAP1LC3C, ZW10 GPR3 2473/4885ERCC1 281/4885FEN1 2969/4885
US-11046889-B2 Polymerizable compound and optically anisotropic body OCIAD1, RCC1, OCIAD2 GPR3 2214/4885ERCC1 629/4885FEN1 796/4885
US-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME CBR1, POR, CAT GPR3 4466/4885ERCC1 532/4885FEN1 255/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 GPR3 4643/4885ERCC1 2241/4885FEN1 2516/4885

“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.