SCHEMBL16245769

SCHEMBL16245769

Cc1cc(CC(C)C)ccc1CC(C)C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GABRA1 P14867 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ PTGS1 P23219 3/20 0.34
▸ PTGS2 P35354 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ AKR1C3 P42330 2/20 0.34
▸ CXCR1 P25024 2/20 0.34
▸ CXCR2 P25025 2/20 0.34
▸ ALB P02768 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ NR1I3 Q14994 1/20 0.34
▸ SLC22A6 Q4U2R8 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
SCHEMBL29671369 1.00 TSHR (0.44) TSHRTP53GABRA1GABRB2PTGS1
SCHEMBL16245812 0.87 TSHR (0.44) TSHRTP53PTGS1PTGS2LMNA
SCHEMBL16245736 0.87 GABRA1 (0.46) TSHRTP53GABRA1GABRB2PTGS1
SCHEMBL23248048 0.83 TP53 (0.47) TSHRTP53ESR1
SCHEMBL29671366 0.83 TP53 (0.47) TSHRTP53ESR1
SCHEMBL28038241 0.81 GABRA1 (0.44) TSHRTP53GABRA1GABRB2PTGS1
SCHEMBL28037918 0.81 GABRA1 (0.44) TSHRTP53GABRA1GABRB2PTGS1
SCHEMBL29781139 0.79 TP53 (0.53) TSHRTP53PTGS2LMNACYP2C9
SCHEMBL25395008 0.79 TP53 (0.53) TSHRTP53PTGS2LMNACYP2C9
SCHEMBL7149958 0.79 GABRA1 (0.41) TSHRGABRA1GABRB2PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2994448-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2019-07-31 — — EP claimed
US-9656938-B2 Organic compounds GIVAUDAN S.A. (CH) 2017-05-23 — — US claimed
US-20160075627-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2016-03-17 — — US claimed
EP-2994448-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2016-03-16 — — EP claimed
WO-2014180952-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-11-13 — — WO claimed
US-12116338-B2 Aldehyde compound and method for producing same, and fragrance composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-10-15 — — US disclosed
CN-114555552-B Aldehyde compound, process for producing the same, and perfume composition 三菱瓦斯化学株式会社 2024-06-14 — — CN disclosed
US-20240158331-A1 ALDEHYDE COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-05-16 — — US disclosed
EP-4046985-B1 ALDEHYDE COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2023-11-01 — — EP disclosed
CN-114555552-A Aldehyde compound, process for producing the same, and perfume composition 三菱瓦斯化学株式会社 2022-05-27 — — CN disclosed
EP-3581554-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2022-04-20 — — EP disclosed
EP-3581554-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2022-04-20 — — EP disclosed
US-9656938-B2 Organic compounds GIVAUDAN S.A. (CH) 2017-05-23 — — US disclosed
US-9656938-B2 Organic compounds GIVAUDAN S.A. (CH) 2017-05-23 — — US disclosed
US-9656938-B2 Organic compounds GIVAUDAN S.A. (CH) 2017-05-23 — — US disclosed
US-20160075627-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2016-03-17 — — US disclosed
US-20160075627-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2016-03-17 — — US disclosed
EP-2994448-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2016-03-16 — — EP disclosed
WO-2014180952-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-11-13 — — WO disclosed
WO-2014180952-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-11-13 — — 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 (3 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-12116338-B2 Aldehyde compound and method for producing same, and fragrance composition ALDH1A1, ALDH16A1, ALDH5A1 TSHR 4790/4885TP53 3148/4885GABRA1 1645/4885
US-20240158331-A1 ALDEHYDE COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION ALDH1A1, ALDH16A1, ALDH5A1 TSHR 4790/4885TP53 3148/4885GABRA1 1645/4885
US-20160075627-A1 ORGANIC COMPOUNDS AOX1, TYR, ALK TSHR 3983/4885TP53 923/4885GABRA1 2048/4885

“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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