SCHEMBL17748246

SCHEMBL17748246

Cc1cc(CC(C)C)ccc1CCl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.47
▸ GABRB2 P47870 1/20 0.47
▸ FAAH O00519 1/20 0.39
▸ PNMT P11086 1/20 0.35
▸ PTGS2 P35354 4/20 0.34
▸ PTGS1 P23219 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ AKR1C3 P42330 2/20 0.34
▸ CXCR1 P25024 2/20 0.34
▸ CXCR2 P25025 2/20 0.34
▸ ESR1 P03372 2/20 0.34
▸ NFKB1 P19838 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ BLM P54132 2/20 0.34
▸ PMP22 Q01453 2/20 0.34
▸ ALB P02768 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ ADRB3 P13945 1/20 0.34

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
SCHEMBL11808620 0.82 GABRA1 (0.58) GABRA1GABRB2FAAHPNMTPTGS2
SCHEMBL6914100 0.81 ESR1 (0.37) PTGS2PTGS1ESR1TSHRKMT2A
SCHEMBL19491783 0.79 GABRA1 (0.46) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL30151579 0.79 GABRA1 (0.46) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL20875725 0.78 GABRA1 (0.44) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL27864666 0.78 GABRA1 (0.45) GABRA1GABRB2FAAHPTGS2PTGS1
SCHEMBL7562470 0.77 GABRA1 (0.50) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL932599 0.77 TTR (0.47) GABRA1GABRB2ALOX15ALOX12NR3C1
SCHEMBL20875726 0.77 GABRA1 (0.43) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL3074890 0.77 GABRA1 (0.43) GABRA1GABRB2PTGS2PTGS1LMNA

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-3218341-B1 PHENYL BASED COMPOUNDS SUBSTITUTED WITH ALDEHYDE MOIETIES AND THEIR USE IN PERFUMERY GIVAUDAN SA (CH) 2024-05-01 — — EP disclosed
US-RE49502-E1 Phenyl based compounds substituted with aldehyde moieties and their use in perfumery GIVAUDAN SA (CH) 2023-04-25 — — US disclosed
CN-107074713-B Phenyl-based compounds substituted with aldehyde moieties and their use in perfumery 奇华顿股份有限公司 2021-03-26 — — CN disclosed
US-10760033-B2 Process of forming 2-(4-isobutyl-2-methylphenyl) propanal GIVAUDAN SA (CH) 2020-09-01 — — US disclosed
US-10443018-B2 Phenyl based compounds substituted with aldehyde moieties and their use in perfumery GIVAUDAN S.A. (CH) 2019-10-15 — — US disclosed
EP-3089956-B1 PROCESS GIVAUDAN SA (CH) 2019-08-07 — — EP disclosed
US-20180282662-A1 Process GIVAUDAN S.A. (CH) 2018-10-04 — — US disclosed
US-20170298291-A1 Phenyl Based Compounds Substituted with Aldehyde Moieties and their Use in Perfumery GIVAUDAN S.A. (CH) 2017-10-19 — — US disclosed
EP-3218341-A1 PHENYL BASED COMPOUNDS SUBSTITUTED WITH ALDEHYDE MOIETIES AND THEIR USE IN PERFUMERY Givaudan S.A. (CH) 2017-09-20 — — EP disclosed
EP-3089956-A1 PROCESS Givaudan S.A. (CH) 2016-11-09 — — EP disclosed
WO-2016075257-A1 PROCESS GIVAUDAN SA (CH) 2016-05-19 — — WO disclosed
WO-2016074118-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-05-19 — — WO disclosed
WO-2016074865-A1 PHENYL BASED COMPOUNDS SUBSTITUTED WITH ALDEHYDE MOIETIES AND THEIR USE IN PERFUMERY GIVAUDAN SA (CH) 2016-05-19 — — WO 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 (4 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-10760033-B2 Process of forming 2-(4-isobutyl-2-methylphenyl) propanal RNF168, RNF4, NFKB2 GABRA1 203/4885GABRB2 77/4885FAAH 2529/4885
US-10443018-B2 Phenyl based compounds substituted with aldehyde moieties and their use in perfumery C5, C9, CBR3 GABRA1 2621/4885GABRB2 2474/4885FAAH 195/4885
US-20180282662-A1 Process CUL4B, RNF10, BICRA GABRA1 53/4885GABRB2 20/4885FAAH 3010/4885
US-20170298291-A1 Phenyl Based Compounds Substituted with Aldehyde Moieties and their Use in Perfumery C5, C9, CBR3 GABRA1 2621/4885GABRB2 2474/4885FAAH 195/4885

“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.

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