SCHEMBL130609

SCHEMBL130609

CCC[CH]C(=O)OCCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
TSHR P16473 5/20 0.61
HPGD P15428 1/20 0.61
HCAR2 Q8TDS4 4/20 0.57
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NAAA Q02083 1/20 0.42
APP P05067 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.40
EPHX1 P07099 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL6970553 0.94 HCAR2 (0.58) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL8894081 0.92 HCAR2 (0.59) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL8896661 0.92 HCAR2 (0.59) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL1889620 0.92 HCAR2 (0.59) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL8896935 0.92 HCAR2 (0.59) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL8895422 0.92 HCAR2 (0.59) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL8896113 0.92 HCAR2 (0.59) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL6929525 0.92 HCAR2 (0.59) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL128719 0.91 ATM (0.65) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL131584 0.89 ATM (0.63) ATMTSHRHPGDHCAR2ALDH1A1

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 78 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-0254241-A1 Pyrazolopyridine compounds, their preparation and use Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-01-27 EP disclosed
US-4614804-A PRINTING, DYEING CELLULOSE BASF AKTIENGESELLSCHAFT (DE) 1986-09-30 US disclosed
EP-0074607-B1 PROCESS FOR PREPARING TRIACETONE AMINE ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1986-01-15 EP 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-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
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 ATM 2107/4885TSHR 3017/4885HPGD 1770/4885
US-20200368131-A1 OIL-BASED COMPOSITION CUTA, EBP, LIPA ATM 626/4885TSHR 4625/4885HPGD 450/4885
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 ATM 1321/4885TSHR 1759/4885HPGD 1845/4885

“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.