SCHEMBL6961928

SCHEMBL6961928

CCCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.59
ESR2 Q92731 1/20 0.56
FFAR1 O14842 1/20 0.51
AKR1B1 P15121 1/20 0.51
ACHE P22303 2/20 0.46
PTPN5 P54829 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRIA2 P42262 1/20 0.43
GRIA4 P48058 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
AGTR1 P30556 1/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MME P08473 1/20 0.42
PRKAG1 P54619 1/20 0.42

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
SCHEMBL2692039 0.90 PPARG (0.53) PPARGESR2FFAR1AKR1B1ACHE
SCHEMBL4253889 0.89 HSD17B10 (0.58) PPARGESR2FFAR1AKR1B1ACHE
SCHEMBL6954317 0.87 HSD17B10 (0.60) PPARGESR2FFAR1AKR1B1ACHE
SCHEMBL4256521 0.87 HSD17B10 (0.60) PPARGESR2FFAR1AKR1B1ACHE
SCHEMBL6954649 0.87 HSD17B10 (0.60) PPARGESR2FFAR1AKR1B1ACHE
SCHEMBL10718048 0.87 HSD17B10 (0.60) PPARGESR2FFAR1AKR1B1ACHE
SCHEMBL360601 0.86 ESR2 (0.59) PPARGESR2FFAR1AKR1B1ACHE
SCHEMBL6949108 0.84 ESR2 (0.62) PPARGESR2FFAR1AKR1B1ACHE
SCHEMBL2575205 0.83 ESR2 (0.56) PPARGESR2FFAR1AKR1B1ACHE
SCHEMBL6957120 0.83 MAOB (0.57) PPARGESR2FFAR1AKR1B1ACHE

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040028-B2 Penicinotam derivative, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-06-22 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
US-7732416-B2 For protecting plants against parasitic feeding pests; also against the infestation of pets, especially cats and dogs, by fleas, ticks and nematodes; pesticides for crop protection MERIAL LIMITED (US) 2010-06-08 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 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 (3 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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 PPARG 1107/4885ESR2 1697/4885FFAR1 1915/4885
US-11040028-B2 Penicinotam derivative, preparation method and use thereof TPMT, MAPT, TLR4 PPARG 2640/4885ESR2 3310/4885FFAR1 1496/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 PPARG 4753/4885ESR2 2744/4885FFAR1 4819/4885

“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.