SCHEMBL5025375

SCHEMBL5025375

Cc1cccc(-c2ccccc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.55
TSHR P16473 2/20 0.50
MAPT P10636 2/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTR1A P08908 1/20 0.49
ACHE P22303 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
ENPP3 O14638 1/20 0.45
CNR2 P34972 2/20 0.45
CNR1 P21554 2/20 0.45
CHEK1 O14757 1/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45

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
SCHEMBL19209439 0.92 HTR7 (0.49) HTR7TSHRMAPTUSP2LMNA
SCHEMBL19577768 0.91 MAPT (0.48) HTR7TSHRMAPTUSP2LMNA
SCHEMBL9717669 0.90 TSHR (0.47) HTR7TSHRMAPTUSP2LMNA
M-Xylene SCHEMBL28308665 0.89 ACHE (0.52) HTR7TSHRMAPTUSP2LMNA
SCHEMBL19577765 0.88 HTR7 (0.60) HTR7TSHRHTR1AACHENPC1
SCHEMBL28414965 0.88 ACHE (0.55) TSHRMAPTACHENPC1RAB9A
SCHEMBL29628983 0.88 HTR7 (0.60) HTR7TSHRHTR1AACHENPC1
SCHEMBL24689747 0.86 ACHE (0.52) TSHRMAPTACHENPC1RAB9A
SCHEMBL11442505 0.86 HTR7 (0.59) HTR7TSHRMAPTUSP2LMNA
SCHEMBL13260521 0.86 HTR7 (0.59) HTR7TSHRMAPTUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275605-A1 (Methylcyclohexyl)Toluene Isomer Mixtures,Their Production and Their Use in the Manufacture of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2014-09-18 US claimed
WO-2013173332-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN Vertichem Corporation (CA) 2013-11-21 WO claimed
US-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN THESIS CHEMISTRY, LLC (US) 2013-09-12 US claimed
CN-113207294-B Polymer resin composition, and polymer film and resin laminate using same 株式会社LG化学 2023-10-20 CN disclosed
US-20220145161-A1 GREEN COMPOSITIONS FOR USE IN DOWNHOLE AND INDUSTRIAL APPLICATIONS DELTA-ENERGY GROUP, LLC (US) 2022-05-12 US disclosed
US-11236028-B2 Production and use of 3,4′ and 4,4′-dimethylbiphenyl isomers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-02-01 US disclosed
US-11198660-B2 Production of methyl-substituted biphenyl compounds EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-12-14 US disclosed
US-20210053890-A1 Production and Use of 3,4' and 4,4'-Dimethylbiphenyl Isomers EXXONMOBIL CHEMICAL PATENTS INC. 2021-02-25 US disclosed
US-20200405715-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER AND INFLAMMATORY DISEASES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-12-31 US disclosed
US-20200361845-A1 Preparation and Use of Biphenyldicarboxylic Acids EXXONMOBIL CHEMICAL PATENTS INC. 2020-11-19 US disclosed
US-20200325086-A1 Production of Methyl-substituted Biphenyl Compounds EXXONMOBIL CHEMICAL PATENTS INC. 2020-10-15 US disclosed
EP-0376856-A1 Preparation of biaryl compounds EASTMAN KODAK COMPANY (US) 1990-07-04 EP disclosed
WO-1990006295-A1 PREPARATION OF BIARYL COMPOUNDS EASTMAN KODAK COMPANY (US) 1990-06-14 WO disclosed
US-4916227-A From aromatic halide using coordinating catalyst containing nickel, phosphorus containing ligand, and reducing metal EASTMAN KODAK COMPANY (US) 1990-04-10 US disclosed
EP-0006203-B1 PROCESS FOR THE PREPARATION OF AMINODIOXYANTHRACENES BAYER AG (DE) 1981-09-16 EP disclosed
EP-0006203-A1 Process for the preparation of aminodioxyanthracenes BAYER AG (DE) 1980-01-09 EP disclosed
US-4163747-A Process for the preparation of 1-alkylamino-anthraquinones BAYER AKTIENGESELLSCHAFT (DE) 1979-08-07 US disclosed
US-4102906-A Process for preparing α-amino-β'-nitroanthraquinones BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 US disclosed
US-3933868-A Process for the preparation of 1,5- and 1,8-diamino-anthraquinone BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed
US-3933867-A Process for the preparation of 1-aminoanthraquinone BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 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-20140275605-A1 (Methylcyclohexyl)Toluene Isomer Mixtures,Their Production and Their Use in the Manufacture of Plasticizers DDT, CYP3A4, TERT HTR7 693/4885TSHR 3106/4885MAPT 737/4885
US-20200361845-A1 Preparation and Use of Biphenyldicarboxylic Acids BBOX1, DDT, DDC HTR7 1703/4885TSHR 1442/4885MAPT 2686/4885
US-20210053890-A1 Production and Use of 3,4' and 4,4'-Dimethylbiphenyl Isomers BMP4, DBF4, EIF4B HTR7 2813/4885TSHR 4010/4885MAPT 90/4885
US-11198660-B2 Production of methyl-substituted biphenyl compounds CYP1B1, CYP1A1, CYP4B1 HTR7 629/4885TSHR 4241/4885MAPT 4490/4885
US-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN HAAO, HAO2, HACL2 HTR7 2310/4885TSHR 4699/4885MAPT 2625/4885
US-20200405715-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER AND INFLAMMATORY DISEASES TNF, MMP8, RELA HTR7 2103/4885TSHR 4437/4885MAPT 1858/4885
US-11236028-B2 Production and use of 3,4′ and 4,4′-dimethylbiphenyl isomers BMP4, DBF4, EIF4B HTR7 2867/4885TSHR 4020/4885MAPT 90/4885
US-20200325086-A1 Production of Methyl-substituted Biphenyl Compounds CYP1B1, CYP1A1, CYP4B1 HTR7 629/4885TSHR 4241/4885MAPT 4490/4885

“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.