SCHEMBL129823

SCHEMBL129823

[CH2]CCCC(=O)OCCCC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.61
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
ALDH1A1 P00352 1/20 0.50
NAAA Q02083 1/20 0.50
DNM1 Q05193 1/20 0.50
HTR2C P28335 1/20 0.49
TSHR P16473 2/20 0.48
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.47
PAM P19021 2/20 0.46
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
MGLL Q99685 1/20 0.44
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL616258 0.94 DGKA (0.64) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL7282921 0.94 DGKA (0.59) DGKAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL129849 0.94 DGKA (0.64) DGKAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL2485452 0.92 DGKA (0.68) DGKAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL7841880 0.92 DGKA (0.68) DGKAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL11249237 0.92 DGKA (0.68) DGKAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL129577 0.92 DGKA (0.68) DGKAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8895425 0.92 DGKA (0.68) DGKAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8453125 0.92 DGKA (0.68) DGKAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL7839840 0.92 DGKA (0.68) DGKAPRSS1PRSS2PRSS3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
CN-109310585-B External preparation for skin for improving wrinkles 宝丽化成工业有限公司 2021-10-29 CN disclosed
US-20210030631-A1 EXTERNAL PREPARATION FOR SKIN FOR WRINKLE IMPROVEMENT POLA CHEMICAL INDUSTRIES, INC. (JP) 2021-02-04 US disclosed
US-20200368131-A1 OIL-BASED COMPOSITION POLA CHEM IND INC (JP) 2020-11-26 US disclosed
EP-0103278-A2 Anthraquinone dyes and their use BASF Aktiengesellschaft (DE) 1984-03-21 EP disclosed
US-4386086-A ENOL DERIVATIVES OF 2-ARYL-1,3-INDANDIONES UNION CARBIDE CORPORATION (US) 1983-05-31 US disclosed
EP-0004026-B1 HYDROLYTICALLY STABLE ORTHO-ALKYLATED PHENYL PHOSPHONITES AND STABILIZED COMPOSITIONS CIBA-GEIGY AG (CH) 1982-05-05 EP disclosed
US-4233207-A STABILIZING POLYMERS AGAINST OXIDATION, HEAT, AND RADIATION CIBA-GEIGY CORPORATION (US) 1980-11-11 US disclosed
EP-0008540-A2 2-aryl-1,3-indandione derivatives and compositions comprising them for controlling ectoparasitic acarina UNION CARBIDE CORPORATION (US) 1980-03-05 EP disclosed
EP-0004026-A1 Hydrolytically stable ortho-alkylated phenyl phosphonites and stabilized compositions CIBA-GEIGY AG (CH) 1979-09-19 EP disclosed
US-4136100-A BLUE-VIOLET TO GREEN-BLUE DYEINGS ON CELLULOSE TEXTILES BASF AKTIENGESELLSCHAFT (DE) 1979-01-23 US disclosed
US-4104043-A Esters of 3-hydroxyindone compounds as herbicides and miticides UNION CARBIDE CORPORATION (US) 1978-08-01 US disclosed
US-4091006-A MITICIDES AND HERBICIDES UNION CARBIDE CORPORATION (US) 1978-05-23 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 (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-20210030631-A1 EXTERNAL PREPARATION FOR SKIN FOR WRINKLE IMPROVEMENT F12, CUTA, SQLE DGKA 1567/4885PRSS1 1122/4885PRSS2 1986/4885
US-20200368131-A1 OIL-BASED COMPOSITION CUTA, EBP, LIPA DGKA 418/4885PRSS1 2208/4885PRSS2 2130/4885
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 DGKA 4757/4885PRSS1 588/4885PRSS2 474/4885

“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.