SCHEMBL444673

SCHEMBL444673

CCc1ccc(CC)c(CC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
DHFR P00374 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BACE1 P56817 1/20 0.42
CA2 P00918 1/20 0.39
TP53 P04637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
AKT1 P31749 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38

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
Ethylene SCHEMBL27875997 0.95 TRPA1 (0.44) TRPA1CYP1A2CYP2A6DHFRALDH1A1
SCHEMBL9487860 0.90 TRPA1 (0.44) TRPA1CYP1A2CYP2A6DHFRALDH1A1
SCHEMBL5050079 0.90 TRPA1 (0.44) TRPA1CYP1A2CYP2A6DHFRALDH1A1
Formic Acid SCHEMBL28752897 0.89 TRPA1 (0.45) TRPA1CYP1A2CYP2A6DHFRALDH1A1
SCHEMBL8384809 0.87 TRPA1 (0.43) TRPA1CYP1A2CYP2A6DHFRALDH1A1
SCHEMBL10916484 0.86 DHFR (0.53) TRPA1DHFRALDH1A1SMN1; SMN2LMNA
SCHEMBL14581610 0.85 TRPA1 (0.41) TRPA1CYP1A2CYP2A6DHFRALDH1A1
SCHEMBL10732579 0.85 BACE1 (0.46) TRPA1CYP1A2CYP2A6DHFRALDH1A1
SCHEMBL15591097 0.85 BACE1 (0.46) TRPA1CYP1A2CYP2A6DHFRALDH1A1
SCHEMBL608321 0.85 AKT1 (0.41) TRPA1CYP1A2CYP2A6DHFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025136733-A1 SYSTEMS AND METHODS FOR DISPROPORTIONATION OF SILICON OXIDE FOR ANODE MATERIALS ALBEMARLE CORPORATION (US) 2025-06-26 WO claimed
WO-2025136732-A1 SYSTEMS AND METHODS FOR PRODUCING LITHIATED INORGANIC PARTICLES ALBEMARLE CORPORATION (US) 2025-06-26 WO claimed
CN-109891614-B Solvent system for preparing photosensitive organic electronic device 住友化学株式会社 2024-04-30 CN claimed
CN-114752108-B Method for degrading waste tire rubber into asphalt 长沙理工大学 2023-07-25 CN claimed
CN-114752108-A Method for degrading waste tire rubber into asphalt-like material 长沙理工大学 2022-07-15 CN claimed
CN-112662390-A Compound and preparation method thereof TCL集团股份有限公司 2021-04-16 CN claimed
CN-108727904-A Quantum dot ink TCL集团股份有限公司 2018-11-02 CN claimed
US-9120715-B2 Alkylation of aromatic substrates TOTAL PETROCHEMICALS FRANCE (FR) 2015-09-01 US claimed
US-20140206917-A1 Alkylation of Aromatic Substrates TOTAL PETROCHEMICALS FRANCE (FR) 2014-07-24 US claimed
CN-102216215-B Process for making alkylaromatics using EMM-12 EXXONMOBIL CHEM PATENTS INC 2014-03-26 CN claimed
US-5073655-A Alkylation of aromatic hydrocarbon with aromatic alklating hal ide, alcohol or olefin, a mixed oxide of silica or germania wi th alumina, boria, iron oxide or gallium oxide MOBIL OIL CORP. (US) 1991-12-17 US claimed
CN-1043492-A 2, the selection production of 6-diethylna-phthalene AMOCO CORP (US) 1990-07-04 CN claimed
WO-1990000163-A1 SELECTIVE PRODUCTION OF 2,6-DIETHYLNAPHTHALENE AMOCO CORPORATION (US) 1990-01-11 WO claimed
EP-0349189-A1 Selective production of 2,6-diethyl-naphthalene AMOCO CORPORATION (US) 1990-01-03 EP claimed
US-4873386-A ETHYLATING AGENT, LEWIS ACID CATALYST AMOCO CORPORATION (US) 1989-10-10 US claimed
US-4272502-A Process for preparing gaseous hydrogen chloride from dilute aqueous hydrochloric acid CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DE) 1981-06-09 US claimed
US-4255356-A Purification of tertiary amines using an adsorbent CHEMISCHE WERKE HULS AG (DE) 1981-03-10 US claimed
US-4072194-A CURING, AROMATIC DILUENTS, WELL BORES HALLIBURTON COMPANY (US) 1978-02-07 US claimed
US-4020102-A FROM SODIUM B-NAPHTHOLATE AND CARBON DIOXIDE BASF AKTIENGESELLSCHAFT (DT) 1977-04-26 US claimed
US-3960801-A SEALING OF SUBTERREAN ZONE, CURING HALLIBURTON COMPANY (US) 1976-06-01 US claimed