SCHEMBL9580608

SCHEMBL9580608

[CH]=CC1=C(C)CCCC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 9/20 0.47
PTGS1 P23219 4/20 0.47
LMNA P02545 2/20 0.47
DRD3 P35462 2/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
HAO1 Q9UJM8 1/20 0.45
CYP3A4 P08684 5/20 0.43
APP P05067 4/20 0.43
SNCA P37840 4/20 0.43
ALOX15 P16050 3/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR2E1 Q9Y466 1/20 0.43
RXRA P19793 6/20 0.41
RARA P10276 6/20 0.41
RARB P10826 6/20 0.41
RARG P13631 6/20 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
SCHEMBL4447818 0.80 CYP1A2 (0.55) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL4105308 0.78 CYP1A2 (0.53) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL20182428 0.78 CYP1A2 (0.53) CYP1A2ALDH1A1PTGS1LMNADRD3
Cyclocitral SCHEMBL309759 0.78 CYP1A2 (0.58) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL25118490 0.77 CYP1A2 (0.61) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL9955182 0.75 CYP1A2 (0.50) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL9955185 0.75 CYP1A2 (0.50) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL14566306 0.75 CYP1A2 (0.59) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL8595481 0.75 CYP1A2 (0.54) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL9840849 0.75 CYP1A2 (0.54) CYP1A2ALDH1A1PTGS1LMNADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4355728-A1 FRAGRANCE COMPOUNDS Givaudan SA (CH) 2024-04-24 EP claimed
WO-2022263605-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2022-12-22 WO claimed
US-4474983-A Process for preparing compounds having a 1,5-dimethyl-hexa-1,5-dienylene group by desulphonylation of a corresponding sulphone RHONE-POULENC S.A. (FR) 1984-10-02 US claimed
US-4433171-A Sulphones having a 1,5-dimethyl-hexa-1,5-dienylene group RHONE-POULENC S.A. (FR) 1984-02-21 US claimed
US-4331814-A Sulphones having a 1,5-dimethyl-hexa-1,5-dienylene group RHONE POULENC S.A. (FR) 1982-05-25 US claimed
US-12018228-B2 Alkoxybenzaldehyde derivatives and precursors thereof GIVAUDAN SA (CH) 2024-06-25 US disclosed
EP-4355728-A1 FRAGRANCE COMPOUNDS Givaudan SA (CH) 2024-04-24 EP disclosed
WO-2022263605-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2022-12-22 WO disclosed
EP-3541775-B1 NOVEL PROCESS FOR THE MANUFACTURE OF GAMMA,DELTA-UNSATURATED KETONES DSM IP ASSETS BV (NL) 2022-07-27 EP disclosed
US-20220002634-A1 ALKOXYBENZALDEHYDE DERIVATIVES AND PRECURSORS THEREOF GIVAUDAN SA (CH) 2022-01-06 US disclosed
EP-3873880-A1 ALKOXYBENZALDEHYDE DERIVATIVES AND PRECURSORS THEREOF Givaudan SA (CH) 2021-09-08 EP disclosed
CN-112930335-A Alkoxybenzaldehyde derivative and precursor thereof 奇华顿股份有限公司 2021-06-08 CN disclosed
US-4331814-A Sulphones having a 1,5-dimethyl-hexa-1,5-dienylene group RHONE POULENC S.A. (FR) 1982-05-25 US disclosed
US-4331814-A Sulphones having a 1,5-dimethyl-hexa-1,5-dienylene group RHONE POULENC S.A. (FR) 1982-05-25 US disclosed
US-4105697-A Process for the preparation of α, β-ethylenic aldehydes RHONE-POULENC INDUSTRIES (FR) 1978-08-08 US disclosed
US-4076814-A DITHIOCARBAMIC ACID DERIVATIVES SANKYO COMPANY LIMITED (JA) 1978-02-28 US disclosed
US-4031158-A LUBRICANT, COSMETICS, TEXTILES LION FAT & OIL CO., LTD. (JA) 1977-06-21 US disclosed
US-4026910-A Oxidation process using nickel peroxide oxidizing agents HOFFMANN-LA ROCHE INC. (US) 1977-05-31 US disclosed
US-3994936-A Catalytic rearrangement HOFFMANN-LA ROCHE INC. (US) 1976-11-30 US disclosed
US-3981896-A CONVERSION OF ACETYLENIC ALCOHOLS TO ALDEHYDES AND KETONES HOFFMANN-LA ROCHE INC. (US) 1976-09-21 US disclosed