SCHEMBL9580605

SCHEMBL9580605

C=[C]C1=C(C)CCCC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.38
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
DRD3 P35462 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
HAO1 Q9UJM8 1/20 0.32
CYP3A4 P08684 2/20 0.30
TSHR P16473 1/20 0.30
TP53 P04637 1/20 0.30
APP P05067 1/20 0.30
ALOX15 P16050 1/20 0.30
SNCA P37840 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NR2E1 Q9Y466 1/20 0.30
RARA P10276 1/20 0.30
RARG P13631 1/20 0.30
RXRA P19793 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
SCHEMBL9836682 0.78 RARB (0.41) RARBCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL13950640 0.78 KRAS (0.39) RARBCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL5267535 0.78 RARB (0.38) RARBCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL6368904 0.75 RARB (0.43) RARBCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL11412206 0.74 RARB (0.42) RARBCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL3346411 0.72 RARB (0.41) RARBCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL5269834 0.71 RARB (0.38) RARBCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL4495310 0.71 CYP1A2 (0.44) RARBCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL4678663 0.70 CYP1A2 (0.40) RARBCYP1A2ALDH1A1LMNAPTGS1
SCHEMBL9955178 0.69 ALDH1A1 (0.38) RARBCYP1A2ALDH1A1LMNAPTGS1

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 18 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
EP-0088986-B1 BICYCLIC PHENOL ETHERS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1987-02-25 EP claimed
US-4486442-A ANTIANAPHYLACTIC BOEHRINGER MANNHEIM GMBH (DE) 1984-12-04 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
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
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
US-5243097-A Intermediates for vitamins A & E RHONE-POULENC SANTE LES MIROIRS (FR) 1993-09-07 US disclosed
US-4486442-A ANTIANAPHYLACTIC BOEHRINGER MANNHEIM GMBH (DE) 1984-12-04 US disclosed
US-4044028-A Preparation of α,β-unsaturated aldehydes or ketones HOFFMANN-LA ROCHE INC. (US) 1977-08-23 US disclosed
US-4000131-A PROCESS FOR PREPARING EPOXIDE-CYCLOHEXYL COMPOUND AND RESULTANT COMPOUND HOFFMANN-LA ROCHE INC. (US) 1976-12-28 US disclosed