SCHEMBL2958620

SCHEMBL2958620

C[C]1CC2=C(CCCC2(C)C)CC1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ SLC2A1 P11166 1/20 0.38
▸ MCL1 Q07820 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ AGTR1 P30556 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ LMNA P02545 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL869519 0.74 POLB (0.56) ALDH1A1TDP1POLBSLC2A1MCL1
SCHEMBL31675176 0.74 POLB (0.56) ALDH1A1TDP1POLBSLC2A1MCL1
SCHEMBL18834394 0.71 ALDH1A1 (0.46) ALDH1A1TDP1POLBSLC2A1MCL1
SCHEMBL4079229 0.67 ALDH1A1 (0.58) ALDH1A1TDP1POLBSLC2A1MCL1
SCHEMBL10316754 0.65 POLB (0.41) ALDH1A1TDP1POLBSLC2A1MCL1
SCHEMBL15865874 0.65 POLB (0.41) ALDH1A1TDP1POLBSLC2A1MCL1
SCHEMBL2226978 0.65 ALDH1A1 (0.55) ALDH1A1TDP1POLBSLC2A1MCL1
SCHEMBL23986724 0.64 ALDH1A1 (0.37) ALDH1A1TDP1POLBSLC2A1NPSR1
SCHEMBL12858698 0.63 ALDH1A1 (0.57) ALDH1A1TDP1POLBSLC2A1MCL1
SCHEMBL15199501 0.63 POLB (0.45) ALDH1A1TDP1POLBSLC2A1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3033066-B1 POLYUREA OR POLYURETHANE CAPSULES INT FLAVORS & FRAGRANCES INC (US) 2023-07-12 — — EP disclosed
EP-3894381-A1 DODECA-4,8,11-TRIEN-1-OL AND ITS USE AS AROMA CHEMICAL BASF SE (DE) 2021-10-20 — — EP disclosed
EP-3802758-A1 2-FURYL- AND 2-THIENYL-SUBSTITUTED DI- AND TETRAHYDROPYRANS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2021-04-14 — — EP disclosed
WO-2020120469-A1 DODECA-4,8,11-TRIEN-1-OL AND ITS USE AS AROMA CHEMICAL BASF SE (DE) 2020-06-18 — — WO disclosed
WO-2019224373-A1 2-FURYL- AND 2-THIENYL-SUBSTITUTED DI- AND TETRAHYDROPYRANS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2019-11-28 — — WO disclosed
EP-3464224-A1 PROCESS FOR PREPARING 2,3-UNSATURATED ALCOHOLS BASF SE (DE) 2019-04-10 — — EP disclosed
CN-107530297-A Microcapsule composition with high performance 国际香料和香精公司 2018-01-02 — — CN disclosed
WO-2017211784-A1 PROCESS FOR PREPARING 2,3-UNSATURATED ALCOHOLS BASF SE (DE) 2017-12-14 — — WO disclosed
CN-104560398-A Hybrid fragrance encapsulate formulation and method for using the same INT FLAVORS & FRAGRANCES INC 2015-04-29 — — CN disclosed
CN-104546518-A Stable, flowable silica capsule formulation INT FLAVORS & FRAGRANCES INC 2015-04-29 — — CN disclosed
US-7846886-B2 Mixtures of unsaturated macrocyclic epoxides as odoriferous substances SYMRISE GMBH & CO. KG (DE) 2010-12-07 — — US disclosed
US-20090305928-A1 Mixtures of Unsaturated Macrocyclic Epoxides as Odoriferous Substances SYMRISE GMBH & CO. KG (DE) 2009-12-10 — — US disclosed
US-20090175812-A1 Novel Skin Lightening Agents, Compositions and Methods CONOPCO, INC., D/B/A UNILEVER (US) 2009-07-09 — — US disclosed
EP-1603527-B1 TERPENOID FRAGRANCE COMPONENTS STABILIZED WITH MALONIC ACID SALTS UNILEVER PLC (GB) 2009-02-04 — — EP 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-20090305928-A1 Mixtures of Unsaturated Macrocyclic Epoxides as Odoriferous Substances OXER1, OR10J3, OR51E2 ALDH1A1 121/4885TDP1 4763/4885POLB 1158/4885
US-20090175812-A1 Novel Skin Lightening Agents, Compositions and Methods C1R, CBR1, OXER1 ALDH1A1 830/4885TDP1 3311/4885POLB 1536/4885

“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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