SCHEMBL615428

SCHEMBL615428

COc1ccc(C(C)C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP2A6 P11509 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ACHE P22303 2/20 0.46
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
ACP3 P15309 1/20 0.43
SLC2A1 P11166 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL21628043 0.83 TYR (0.46) TSHRMAPK1PTGS2
SCHEMBL28318821 0.83 ALDH1A1 (0.47) ALDH1A1CYP2A6CA1CA2CA12
SCHEMBL2915186 0.83 AKR1C3 (0.58) CYP2A6TSHRTDP1L3MBTL1CYP1A2
SCHEMBL29533915 0.83 AKR1C3 (0.58) CYP2A6TSHRTDP1L3MBTL1CYP1A2
SCHEMBL616312 0.83 AKR1C3 (0.58) CYP2A6TSHRTDP1L3MBTL1CYP1A2
SCHEMBL30218646 0.83 AKR1C3 (0.58) CYP2A6TSHRTDP1L3MBTL1CYP1A2
SCHEMBL4831638 0.83 AKR1C3 (0.58) CYP2A6TSHRTDP1L3MBTL1CYP1A2
SCHEMBL4775938 0.80 ALDH1A1 (0.52) ALDH1A1CYP2A6CA1CA2CA12
SCHEMBL182145 0.80 ALDH1A1 (0.52) ALDH1A1CYP2A6CA1CA2CA12
SCHEMBL11740336 0.80 AKR1C3 (0.55) CYP2A6TSHRTDP1L3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12398341-B2 Apparatus and compositions for improving scent delivery THE PROCTER & GAMBLE COMPANY (US) 2025-08-26 US claimed
US-12247180-B2 Apparatus and compositions for improving scent delivery THE PROCTER & GAMBLE COMPANY (US) 2025-03-11 US claimed
CN-114956932-B Synthesis method of polysubstituted chiral tetrahydroquinoline compound 东北大学秦皇岛分校 2023-11-10 CN claimed
CN-114956932-A Synthesis method of polysubstituted chiral tetrahydroquinoline compound 东北大学秦皇岛分校 2022-08-30 CN claimed
WO-2022076359-A1 A PROCESS FOR MAKING ENOL ETHERS EASTMAN CHEMICAL COMPANY (US) 2022-04-14 WO claimed
EP-3166586-B1 ANHYDROUS OIL BASED ON DELIVERY PARTICLES CONTAINING A BENEFIT AGENT OREAL (FR) 2020-04-15 EP claimed
EP-3166575-B1 ANHYDROUS SOFT SOLID COMPOSITION BASED ON PARTICLES ENCAPSULATING A BENEFIT AGENT OREAL (FR) 2020-04-15 EP claimed
EP-3166580-B1 SOLID ANHYDROUS COSMETIC OR DERMATOLOGIC COMPOSITION BASED ON DELIVERY PARTICLES CONTAINING A BENEFIT AGENT OREAL (FR) 2020-03-18 EP claimed
EP-3166578-B1 ANHYDROUS AEROSOL COMPOSITION BASED ON PARTICULES CONTAINING AN ENCAPSULATED BENEFIC AGENT OREAL (FR) 2020-03-18 EP claimed
CN-109180515-A A kind of synthetic method of N- [2- hydroxyl -2- (4- methoxyphenyl) ethyl] cinnamamide 苏利制药科技江阴有限公司 2019-01-11 CN claimed
CN-103958047-B Microcapsules and their use 弗门尼舍有限公司 2017-03-01 CN claimed
CN-103958047-A Microcapsules and their use FIRMENICH & CIE 2014-07-30 CN claimed
CN-122036479-A Preparation method of chiral propargyl substituted aldehyde compound 扬州大学 2026-05-15 CN disclosed
US-12624309-B2 Enol ether properfume FIRMENICH SA (CH) 2026-05-12 US disclosed
US-12616644-B2 Polyurethane gels GRANT INDUSTRIES, INC. (US) 2026-05-05 US disclosed
US-12617602-B2 Aerosol dispenser and nozzle with reduced drip THE PROCTER & GAMBLE COMPANY (US) 2026-05-05 US disclosed
EP-0220792-A1 A method for producing 2-aryl-propionaldehydes HAMARI YAKUHIN KOGYO KABUSHIKI KAISHA also known as HAMARI CHEMICALS, LTD. (JP) 1987-05-06 EP disclosed
US-4364952-A Certain 1,4-dihydro-2,6-dimethyl-3,5-pyridine-dicarboxylates, composition containing same and method of use BAYER AKTIENGESELLSCHAFT (DE) 1982-12-21 US disclosed
US-4355184-A BY REACTING AN ALDEHYDE WITH AN ALKALI METAL SALT OF ACETOACETIC NIPPON SODA COMPANY LIMITED (JP) 1982-10-19 US disclosed
EP-0042093-A2 4-Aralkyl-1,4-dihydropyridines, processes for praparing them, their use as medicines and preparation thereof BAYER AG (DE) 1981-12-23 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 (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-12616644-B2 Polyurethane gels DAGLB, DEGS1, CUTA ALDH1A1 2864/4885CYP2A6 1856/4885CA1 2371/4885
US-12617602-B2 Aerosol dispenser and nozzle with reduced drip EXOSC9, DVL1, DVL3 ALDH1A1 1261/4885CYP2A6 3969/4885CA1 1336/4885
US-12624309-B2 Enol ether properfume CYP2E1, CBR1, ADH5 ALDH1A1 33/4885CYP2A6 51/4885CA1 1158/4885

“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.