SCHEMBL126105

SCHEMBL126105

CCC[CH]C(=O)OCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.54
ATM Q13315 1/20 0.46
TSHR P16473 6/20 0.43
HPGD P15428 1/20 0.43
APP P05067 1/20 0.39
ALDH1A1 P00352 6/20 0.38
ALOX5 P09917 1/20 0.38
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
KDR P35968 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL130828 0.86 ATM (0.54) HCAR2ATMTSHRHPGDAPP
SCHEMBL130609 0.86 ATM (0.65) HCAR2ATMTSHRHPGDAPP
SCHEMBL2413042 0.85 HCAR2 (0.48) HCAR2ATMTSHRHPGDAPP
SCHEMBL127668 0.85 ATM (0.52) HCAR2ATMTSHRHPGDALDH1A1
SCHEMBL6970553 0.85 HCAR2 (0.58) HCAR2ATMTSHRHPGDAPP
SCHEMBL127082 0.83
SCHEMBL129368 0.83
SCHEMBL8896935 0.83 HCAR2 (0.59) HCAR2ATMTSHRHPGDAPP
SCHEMBL8895422 0.83 HCAR2 (0.59) HCAR2ATMTSHRHPGDAPP
SCHEMBL6929525 0.83 HCAR2 (0.59) HCAR2ATMTSHRHPGDAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-25 US claimed
EP-3256448-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2017-12-20 EP claimed
WO-2016128365-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-18 WO claimed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
CN-115192470-B Oily composition 宝丽化成工业有限公司 2024-06-18 CN disclosed
CN-113693965-B External preparation for skin for improving wrinkles 宝丽化成工业有限公司 2024-03-29 CN disclosed
CN-115322211-A Preparation method of alkenyl-substituted-alpha-hydroxy borate compound 香港科技大学深圳研究院 2022-11-11 CN disclosed
CN-115192470-A Oily composition 宝丽化成工业有限公司 2022-10-18 CN disclosed
EP-4008304-A2 EXTERNAL PREPARATION FOR SKIN FOR WRINKLE IMPROVEMENT Pola Chemical Industries Inc. (JP) 2022-06-08 EP disclosed
EP-3476381-B1 EXTERNAL PREPARATION FOR SKIN FOR WRINKLE IMPROVEMENT POLA CHEM IND INC (JP) 2021-12-22 EP disclosed
CN-113693965-A External preparation for skin for improving wrinkles 宝丽化成工业有限公司 2021-11-26 CN disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed
US-4136100-A BLUE-VIOLET TO GREEN-BLUE DYEINGS ON CELLULOSE TEXTILES BASF AKTIENGESELLSCHAFT (DE) 1979-01-23 US disclosed
US-4003750-A METHINE DYES EASTMAN KODAK COMPANY (US) 1977-01-18 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 (2 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 HCAR2 695/4885ATM 1321/4885TSHR 1759/4885
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants CBR3, CBR1, CBS HCAR2 3762/4885ATM 1491/4885TSHR 3681/4885

“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.