SCHEMBL6900277

SCHEMBL6900277

CCNc1cc(OC)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 4/20 0.52
POLB P06746 1/20 0.52
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
PABPC1 P11940 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PGK1 P00558 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
Hydrochloric Acid SCHEMBL11087067 0.98 KMT2A (0.50) ALDH1A1KMT2APOLBGAAMAPT
SCHEMBL16236818 0.87 POLB (0.42) ALDH1A1KMT2APOLBGAAMAPT
SCHEMBL12178218 0.82 KMT2A (0.48) ALDH1A1KMT2APOLBGAAMAPT
SCHEMBL8168077 0.81 DHFR (0.46) KMT2APOLBGAAMAPTL3MBTL1
SCHEMBL10010025 0.79 POLB (0.46) ALDH1A1KMT2APOLBGAAMAPT
SCHEMBL42399 0.79 MTNR1B (0.57) ALDH1A1KMT2APOLBMAPTNPC1
SCHEMBL38660132 0.79 MTNR1B (0.57) ALDH1A1KMT2APOLBMAPTNPC1
SCHEMBL22421831 0.77 DYRK1A (0.42) ALDH1A1KMT2APOLBCYP1A1CYP1B1
SCHEMBL28471149 0.77 MTNR1B (0.55) ALDH1A1KMT2APOLBMAPTNPC1
1,3,5-Trimethoxybenzene SCHEMBL27413401 0.76 ALDH1A1 (0.69) ALDH1A1KMT2APOLBCYP1A1CYP1B1

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-104130257-A One-dimensional organic semiconductor spiral nano-wires with fluorescence response upon organic amine gases, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2014-11-05 CN claimed
JP-11005770-A None JP disclosed
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2022-10-20 US disclosed
US-11229649-B2 Methods for treating cryptosporidiosis using triazolopyridazines UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2022-01-25 US disclosed
US-11014923-B2 Bicyclic heterocycles as FGFR4 inhibitors INCYTE CORPORATION (US) 2021-05-25 US disclosed
US-11008290-B2 Halogenated quinoline derivatives as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-05-18 US disclosed
US-20200399267-A1 BICYCLIC HETEROCYCLES AS FGFR4 INHIBITORS INCYTE CORPORATION 2020-12-24 US disclosed
EP-2740729-B1 QUINAZOLINE DERIVATIVE, COMPOSITION HAVING THE DERIVATIVE, AND USE OF THE DERIVATIVE IN PREPARING MEDICAMENT HANGZHOU MINSHENG INSTITUTES FOR PHARMA RES (CN) 2020-11-25 EP disclosed
CN-107088414-B A kind of N- ethylization catalyst and its preparing the application in N-ethylaniline derivative 湖北新德晟材料科技有限公司 2019-09-10 CN disclosed
EP-3057943-B1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MAN CO LTD (JP) 2018-04-25 EP disclosed
US-6703392-B2 OREXIN RECEPTOR ANTAGONISTS FOR OBESITY OR SLEEPING DISORDER TREATMENT ACTELION PHARMACEUTICALS LTD. (CH) 2004-03-09 US disclosed
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2003-09-18 US disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO disclosed
JP-H115770-A PRODUCTION OF N-ETHYL-3,5-DIMETHOXY-4-FLUOROANILINE WAKO PURE CHEM IND LTD 1999-01-12 JP disclosed
WO-1995011880-A1 SUBSTITUTED AMIDES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-05-04 WO disclosed
US-4442291-A INTERMEDIATE FOR ANTIPSYCHOTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1984-04-10 US disclosed
US-4388467-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1983-06-14 US disclosed
US-4349678-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1982-09-14 US disclosed
US-4334070-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1982-06-08 US disclosed
US-4260762-A NEUROLEPTICS HOFFMANN-LA ROCHE INC. (US) 1981-04-07 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 (6 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-11229649-B2 Methods for treating cryptosporidiosis using triazolopyridazines CLPP, SI, SAMHD1 ALDH1A1 1257/4885KMT2A 3111/4885POLB 2020/4885
US-11014923-B2 Bicyclic heterocycles as FGFR4 inhibitors FGFR4, FGFR1, FGFR3 ALDH1A1 901/4885KMT2A 1045/4885POLB 2931/4885
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885KMT2A 3318/4885POLB 3726/4885
US-20200399267-A1 BICYCLIC HETEROCYCLES AS FGFR4 INHIBITORS FGFR4, FGFR1, FGFR3 ALDH1A1 901/4885KMT2A 1045/4885POLB 2931/4885
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives HCRTR2, HCRTR1, NPY2R ALDH1A1 1115/4885KMT2A 1396/4885POLB 4785/4885
US-11008290-B2 Halogenated quinoline derivatives as antimicrobial agents NDUFS5, NDUFS7, NDUFS3 ALDH1A1 553/4885KMT2A 1438/4885POLB 739/4885

“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.