SCHEMBL20265985

SCHEMBL20265985

CC(C)C1CCC(COCC2CCCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.35
▸ SLC1A3 P43003 3/20 0.33
▸ SLC1A2 P43004 3/20 0.33
▸ SLC1A1 P43005 3/20 0.33
▸ SHBG P04278 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 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
SCHEMBL11883250 0.81 HCRTR2 (0.30) —
SCHEMBL16191332 0.80 SHBG (0.36) SHBGCYP1A2
SCHEMBL27899696 0.80 SLC1A3 (0.32) LMNASLC1A3SLC1A2SLC1A1SHBG
SCHEMBL16191184 0.80 CYP1A2 (0.44) SHBGCYP1A2
SCHEMBL20266033 0.79 CTSK (0.35) SLC1A3SLC1A2SLC1A1CTSLCTSB
SCHEMBL23039739 0.79 CTSL (0.41) LMNASLC1A3SLC1A2SLC1A1CTSL
SCHEMBL29101108 0.79 CTSL (0.41) LMNASLC1A3SLC1A2SLC1A1CTSL
SCHEMBL869115 0.79 CTSL (0.41) LMNASLC1A3SLC1A2SLC1A1CTSL
SCHEMBL16239892 0.79 CTSL (0.41) LMNASLC1A3SLC1A2SLC1A1CTSL
SCHEMBL379081 0.79 CTSL (0.41) LMNASLC1A3SLC1A2SLC1A1CTSL

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108203622-B Organoleptic compounds 国际香料和香精公司 2022-09-09 — — CN disclosed
EP-3339406-B1 FRAGRANCE COMPOSITION INT FLAVORS & FRAGRANCES INC (US) 2020-02-12 — — EP disclosed
US-10273432-B2 Organoleptic compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2019-04-30 — — US disclosed
US-10273432-B2 Organoleptic compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2019-04-30 — — US disclosed
EP-3339406-A1 FRAGRANCE COMPOSITION International Flavors & Fragrances Inc. (US) 2018-06-27 — — EP disclosed
CN-108203622-A Novel sensory compounds 国际香料和香精公司 2018-06-26 — — CN disclosed
US-20180171264-A1 NOVEL ORGANOLEPTIC COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2018-06-21 — — US disclosed
US-20180171264-A1 NOVEL ORGANOLEPTIC COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2018-06-21 — — US disclosed
US-20180171264-A1 NOVEL ORGANOLEPTIC COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2018-06-21 — — US 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-20180171264-A1 NOVEL ORGANOLEPTIC COMPOUNDS TRPA1, TRPV1, TRPV5 LMNA 3898/4885SLC1A3 3819/4885SLC1A2 3491/4885
US-10273432-B2 Organoleptic compounds TRPA1, TRPV5, TRPV1 LMNA 3692/4885SLC1A3 3368/4885SLC1A2 2991/4885

“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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