SCHEMBL4079622

SCHEMBL4079622

CC[CH]COCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
ALOX5 P09917 1/20 0.43
TK1 P04183 1/20 0.42
IDO1 P14902 1/20 0.41
TP53 P04637 1/20 0.41
AGXT P21549 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TACR1 P25103 2/20 0.38

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
SCHEMBL6941005 0.87 TSHR (0.67) TSHRALOX5IDO1AGXTALDH1A1
SCHEMBL15869122 0.82 TSHR (0.54) TSHRALOX5TK1IDO1TP53
SCHEMBL12763795 0.82 TSHR (0.54) TSHRALOX5TK1IDO1TP53
SCHEMBL6290708 0.82 TSHR (0.54) TSHRALOX5TK1IDO1AGXT
SCHEMBL15869125 0.82 TSHR (0.54) TSHRALOX5TK1IDO1TP53
SCHEMBL28140657 0.81 TSHR (0.48) TSHRALOX5TK1IDO1ALDH1A1
SCHEMBL4069935 0.81 TSHR (0.58) TSHRALOX5TK1IDO1AGXT
SCHEMBL4079459 0.80 TSHR (0.52) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL28764214 0.79 TSHR (0.56) TSHRALOX5IDO1AGXTALDH1A1
SCHEMBL27529664 0.79 TSHR (0.56) TSHRALOX5TK1IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111793060-A NLRP3 modulators 先天肿瘤免疫公司 2020-10-20 CN disclosed
CN-110914258-A NLRP3 modulators 先天肿瘤免疫公司 2020-03-24 CN disclosed
EP-1670460-B1 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
CN-101910183-A Preparation method of 4- (substituted phenyl) hexahydropyrido [2,1-C ] [1,4] oxazin-6-one EISAI R&D MAN CO LTD 2010-12-08 CN disclosed
US-7517900-B2 Pyrazole derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
CN-100366605-C Compounds to treat alzheimer's disease ELAN PHARM INC (US) 2008-02-06 CN disclosed
CN-101090883-A Substituted hydroxyethylamines ELAN PHARM INC (US) 2007-12-19 CN disclosed
CN-1989120-A Guanidine derivatives and their therapeutic use MERCK PATENT GMBH (DE) 2007-06-27 CN disclosed
CN-1759095-A N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARM INC (US) 2006-04-12 CN disclosed
US-20050080087-A1 Pyrazole derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US disclosed
US-5919928-A Phenanthridine derivatives and metal complexes thereof used for transparent recording medium or optical recording medium NIPPON PAPER INDUSTRIES, CO., LTD. (JP) 1999-07-06 US disclosed
US-5892042-A OPTICAL RECORDING MEDIA WITH ACRIDINE DYES ON TRANSPARENT SUBSTRATE NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1999-04-06 US disclosed
US-5792863-A HAVING LARGE ABSORPTION IN NEAR INFRARED, REDUCED ABSORPTION IN VISIBLE RANGE NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1998-08-11 US disclosed
EP-0318032-B1 THERMAL DYE TRANSFER SHEET MITSUBISHI KASEI CORPORATION (JP) 1993-04-14 EP disclosed
EP-0318034-B1 THERMAL DYE TRANSFER SHEET MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1992-01-29 EP disclosed
US-4988666-A COPIES, YELLOW QUINOLINE DYE DISPERSED ON A MULTILAYER ELEMENT MITSUBISHI KASEI CORPORATION (JP) 1991-01-29 US disclosed
US-4954478-A Magenta dye dispersed in binder; colorfastness MATSUSHITA ELECTRIC INDUSTRIAL CO. LTD. (JP) 1990-09-04 US disclosed
EP-0318032-A2 Thermal dye transfer sheet MITSUBISHI KASEI CORPORATION (JP) 1989-05-31 EP disclosed
EP-0318034-A1 Thermal dye transfer sheet MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1989-05-31 EP disclosed
US-4820685-A COLOR LAYER OF QUINOLINE DYES AND BINDERS, ON FILM BASE MITSUBISHI KASEI CORPORATION (JP) 1989-04-11 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 (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-20050080087-A1 Pyrazole derivatives as cannabinoid receptor modulators CNR1, CNR2, NPY1R TSHR 526/4885ALOX5 1136/4885TK1 3752/4885

“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.