SCHEMBL1189179

SCHEMBL1189179

CCCC(C)C=C(C)C=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
TSHR P16473 2/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
FDPS P14324 1/20 0.30

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
SCHEMBL1189177 1.00 PTPN1 (0.36) PTPN1TSHRCHRM1AKR1A1CHRM3
SCHEMBL1785032 0.87 TSHR (0.39) PTPN1TSHRFDPS
SCHEMBL1785030 0.87 TSHR (0.39) PTPN1TSHRFDPS
SCHEMBL1782700 0.85 ADH1B (0.41) FDPS
SCHEMBL1782703 0.85 ADH1B (0.41) FDPS
SCHEMBL1781510 0.81
SCHEMBL1781509 0.81
SCHEMBL11939960 0.78 PTPN1 (0.44) PTPN1TSHR
SCHEMBL1785705 0.77 PTPN1 (0.43) PTPN1
SCHEMBL1785706 0.77 PTPN1 (0.43) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110382451-A Transfer hydrogenation process 伊士曼化工公司 2019-10-25 CN claimed
WO-2018148092-A1 TRANSFER-HYDROGENATION PROCESS EASTMAN CHEMICAL COMPANY (US) 2018-08-16 WO claimed
US-9988329-B1 Transfer-hydrogenation process EASTMAN CHEMICAL COMPANY (US) 2018-06-05 US claimed
EP-0804402-B1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXONMOBIL CHEM PATENTS INC (US) 2009-10-07 EP claimed
CN-1220667-C Organic compound and method for producing the same EXXON CHEMICAL PATENTS INC (US) 2005-09-28 CN claimed
US-6090986-A MANUFACTURE OF A SATURATED ALIPHATIC ALDEHYDE CONTAINING A TOTAL OF 9 CARBON ATOMS WHICH COMPRISES SUBJECTING A SATURATED C6 ALDEHYDE TO AN ALDOL CONDENSATION WITH PROPANAL TO FORM AN UNSATURATED C9 ALDEHYDE, AND HYDROGENATION EXXON CHEMICAL PATENTS INC. (US) 2000-07-18 US claimed
EP-0804402-A1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1997-11-05 EP claimed
WO-1996022268-A1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1996-07-25 WO claimed
EP-4065566-B1 TRPM8 MODULATORS GIVAUDAN SA (CH) 2025-01-01 EP disclosed
CN-114761385-B TRPM8 modulators 奇华顿股份有限公司 2024-10-29 CN disclosed
CN-111601786-B Branched trialkylamine precursors, intermediates, products made therefrom and methods of making 伊士曼化工公司 2024-03-12 CN disclosed
US-20230002334-A1 TRPM8 MODULATORS GIVAUDAN SA (CH) 2023-01-05 US disclosed
EP-4065566-A1 TRPM8 MODULATORS Givaudan SA (CH) 2022-10-05 EP disclosed
CN-114761385-A TRPM8 modulators 奇华顿股份有限公司 2022-07-15 CN disclosed
WO-1998002406-A1 RECYCLE AND RECOVERY OF USEFUL PRODUCTS FROM HEAVY ALDOL BY-PRODUCTS EXXON CHEMICAL PATENTS, INC. (US) 1998-01-22 WO disclosed
EP-0804402-A1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1997-11-05 EP disclosed
WO-1996022268-A1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1996-07-25 WO disclosed
EP-0013385-B1 PROCESS FOR THE PREPARATION OF ALIPHATIC CARBONYL COMPOUNDS BASF Aktiengesellschaft (DE) 1982-01-27 EP disclosed
US-4270006-A CONCURRENT HYDROGENATION AND ALDOL CONDENSATION OF AN ALKYL ALDEHYDE OR KETONE USING A CATALYST SYSTEM COMPRISING A GROUP 8 METAL AND A RARE EARTH OXIDE OR SALT BASF AKTIENGESELLSCHAFT (DE) 1981-05-26 US disclosed
EP-0013385-A1 Process for the preparation of aliphatic carbonyl compounds BASF Aktiengesellschaft (DE) 1980-07-23 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 (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-20230002334-A1 TRPM8 MODULATORS TRPM8, TRPM7, TRPM2 PTPN1 4332/4885TSHR 1377/4885CHRM1 728/4885

“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.