SCHEMBL9955185

SCHEMBL9955185

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
ALDH1A1 P00352 9/20 0.45
PTGS1 P23219 4/20 0.45
LMNA P02545 2/20 0.45
DRD3 P35462 2/20 0.45
SLCO1B3 Q9NPD5 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45
HAO1 Q9UJM8 1/20 0.43
CYP3A4 P08684 5/20 0.41
APP P05067 4/20 0.41
SNCA P37840 4/20 0.41
ALOX15 P16050 3/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
RXRA P19793 6/20 0.40
RARA P10276 6/20 0.40
RARB P10826 6/20 0.40
RARG P13631 6/20 0.40

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
SCHEMBL9955182 1.00 CYP1A2 (0.50) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL4447818 0.77 CYP1A2 (0.55) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL4105308 0.75 CYP1A2 (0.53) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL20182428 0.75 CYP1A2 (0.53) CYP1A2ALDH1A1PTGS1LMNADRD3
Cyclocitral SCHEMBL309759 0.75 CYP1A2 (0.58) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL9580608 0.75 CYP1A2 (0.53) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL25118490 0.73 CYP1A2 (0.61) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL14566306 0.72 CYP1A2 (0.59) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL8595481 0.72 CYP1A2 (0.54) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL9840849 0.72 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 13 patents. 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-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
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
EP-2655307-B1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2018-08-01 EP disclosed
US-9193935-B2 Compounds capable of releasing fragrant compounds GIVAUDAN S.A. (CH) 2015-11-24 US disclosed
US-20130316938-A1 Compounds Capable Of Releasing Fragrant Compounds GIVAUDAN S.A. (CH) 2013-11-28 US disclosed
EP-2655307-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS Givaudan SA (CH) 2013-10-30 EP disclosed
WO-2012085287-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2012-06-28 WO disclosed