SCHEMBL1153058

SCHEMBL1153058

CC(C)CCC1CCCC(O)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
METAP1 P53582 1/20 0.31

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
SCHEMBL1153057 1.00 CYP2C9 (0.33) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1153850 1.00 CYP2C9 (0.33) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1153056 1.00 CYP2C9 (0.33) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1153848 1.00 CYP2C9 (0.33) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL31315044 0.85 SIGMAR1 (0.33) CYP1A2LMNA
SCHEMBL21633940 0.81 NPC1 (0.38) ALDH1A1GAARAB9ASMN1; SMN2LMNA
SCHEMBL27401549 0.81 LMNA (0.32) CYP2C9LMNA
SCHEMBL1524887 0.80
SCHEMBL21634067 0.80 ALDH1A1 (0.33) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL24448809 0.79 LMNA (0.33) CYP2C9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3826986-B1 NOVEL ODORANTS HAVING ROSE ODOUR SYMRISE AG (DE) 2026-03-04 EP claimed
CN-117986090-A Novel fragrances with rose scent 西姆莱斯股份公司 2024-05-07 CN claimed
CN-112469685-B Novel fragrances with rose scent 西姆莱斯股份公司 2024-01-02 CN claimed
US-11634659-B2 Fragrances with rose scent SYMRISE AG (DE) 2023-04-25 US claimed
US-20210324300-A1 NOVEL FRAGRANCES WITH ROSE SCENT SYMRISE AG (DE) 2021-10-21 US claimed
EP-3826986-A1 NOVEL ODORANTS HAVING ROSE ODOUR Symrise AG (DE) 2021-06-02 EP claimed
CN-112469685-A Novel flavoring agent with rose smell 西姆莱斯股份公司 2021-03-09 CN claimed
WO-2020020434-A1 NOVEL ODORANTS HAVING ROSE ODOUR SYMRISE AG (DE) 2020-01-30 WO claimed
EP-0977720-B1 PERFUMES COMPRISING 3-ALKYLCYCLOALKANOLS QUEST INT (NL) 2002-06-19 EP claimed
US-6313087-B1 PERFUME COMPOSITION COMPRISING MIXTURE OF FRAGRANCE MATERIALS, INCLUDING AT LEAST ONE 3-ALKYLCYCLOALKANOL, PROVIDING MUGUET-TYPE ODOR NOTE TO SAID COMPOSITION QUEST INTERNATIONAL BV (NL) 2001-11-06 US claimed
EP-3826986-B1 NOVEL ODORANTS HAVING ROSE ODOUR SYMRISE AG (DE) 2026-03-04 EP disclosed
CN-113950521-B 1-Alkoxyethyl-4-isobutylbenzene as aromatic component 巴斯夫欧洲公司 2024-11-08 CN disclosed
CN-114846002-B Substituted 4-methylene-tetrahydropyrans, 4-methyl-dihydropyrans and 4-methyl-tetrahydropyrans and their use as fragrance chemicals 巴斯夫欧洲公司 2024-09-27 CN disclosed
CN-113286776-B Bicyclic and tricyclic compounds useful as fragrance chemicals 巴斯夫欧洲公司 2024-07-26 CN disclosed
CN-114174277-B 2, 6-Trimethyl-4, 5-dihydro-3H-oxaheptacyclic as aromatic component 巴斯夫欧洲公司 2024-06-04 CN disclosed
WO-2006035010-A1 4-ISOAMYLCYCLOHEXANOL AS ODIFERANT SYMRISE GMBH & CO. KG (DE) 2006-04-06 WO disclosed
EP-0977720-B1 PERFUMES COMPRISING 3-ALKYLCYCLOALKANOLS QUEST INT (NL) 2002-06-19 EP disclosed
US-6313087-B1 PERFUME COMPOSITION COMPRISING MIXTURE OF FRAGRANCE MATERIALS, INCLUDING AT LEAST ONE 3-ALKYLCYCLOALKANOL, PROVIDING MUGUET-TYPE ODOR NOTE TO SAID COMPOSITION QUEST INTERNATIONAL BV (NL) 2001-11-06 US disclosed
EP-0977720-A1 PERFUMES COMPRISING 3-ALKYLCYCLOALKANOLS QUEST INTERNATIONAL B.V. (NL) 2000-02-09 EP disclosed
WO-1998047842-A1 PERFUMES COMPRISING 3-ALKYLCYCLOALKANOLS QUEST INTERNATIONAL B.V. (NL) 1998-10-29 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 (2 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-11634659-B2 Fragrances with rose scent NR1H2, DUOX2, AOX1 CYP2C9 394/4885ALDH1A1 130/4885CYP1A2 70/4885
US-20210324300-A1 NOVEL FRAGRANCES WITH ROSE SCENT NR1H2, DUOX2, AOX1 CYP2C9 542/4885ALDH1A1 173/4885CYP1A2 130/4885

“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.