SCHEMBL2129176

SCHEMBL2129176

C=CCC(O)(C(=O)O)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
CCR2 P41597 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
CASP1 P29466 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
SCHEMBL1410774 0.76 GRM2 (0.41) KEAP1NFE2L2ALDH1A1TSHRCCR2
SCHEMBL432459 0.76 CCR2 (0.37) KEAP1NFE2L2ALDH1A1TSHRCCR2
SCHEMBL28057200 0.75 KEAP1 (0.39) KEAP1NFE2L2ALDH1A1GRM2GRM3
SCHEMBL6282906 0.75 KEAP1 (0.39) KEAP1NFE2L2ALDH1A1GRM2GRM3
SCHEMBL11351080 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10617618 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3013647 0.72 KEAP1 (0.37) KEAP1NFE2L2ALDH1A1GRM2GRM3
SCHEMBL1793441 0.70 ALDH1A1 (0.31) ALDH1A1TSHRCCR2CASP1
SCHEMBL18285638 0.69
SCHEMBL11812881 0.69 CYP1A2 (0.39) KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3684898-B1 METHOD FOR PRODUCING AN ACTIVE SUBSTANCE WAFER SYMRISE AG (DE) 2025-04-30 EP disclosed
US-20220411728-A1 HOME CARE PRODUCT OR FORMULATION SYMRISE AG (DE) 2022-12-29 US disclosed
US-11512267-B2 Active substance wafer SYMRISE AG (DE) 2022-11-29 US disclosed
EP-4061915-A1 HOME CARE PRODUCT OR FORMULATION Symrise AG (DE) 2022-09-28 EP disclosed
WO-2022124003-A1 FRAGRANCE COMPOSITION 花王株式会社 2022-06-16 WO disclosed
CN-114585715-A Home care products or formulations 西姆莱斯有限公司 2022-06-03 CN disclosed
WO-2021098950-A1 HOME CARE PRODUCT OR FORMULATION SYMRISE AG (DE) 2021-05-27 WO disclosed
EP-3740556-A1 TRANSPARENT ACTIVE SUBSTANCE RELEASE COMPOSITION AND METHOD FOR PRODUCING THE SAME Symrise AG (DE) 2020-11-25 EP disclosed
EP-3737428-A1 ARTICLE PROVIDING SELECTIVE INTERCONNECTIVITY OF CARRIER MATERIALS COMPRISING FRAGRANCES Symrise AG (DE) 2020-11-18 EP disclosed
EP-3737427-A1 ARTICLE WITH SEPARATING LAYER FOR CONTROLLED RELEASE OF FRAGRANCES Symrise AG (DE) 2020-11-18 EP disclosed
EP-3684898-A1 ACTIVE SUBSTANCE WAFER Symrise AG (DE) 2020-07-29 EP disclosed
US-20200216782-A1 ACTIVE SUBSTANCE WAFER SYMRISE AG (DE) 2020-07-09 US disclosed
WO-2019057294-A1 ACTIVE SUBSTANCE WAFER SYMRISE AG (DE) 2019-03-28 WO disclosed
US-8513180-B2 Ethanol-free perfume oil microemulsion SYMRISE AG (DE) 2013-08-20 US disclosed
US-20120101020-A1 ETHANOL-FREE PERFUME OIL MICROEMULSION SYMRISE AG (DE) 2012-04-26 US disclosed
US-20090123392-A1 FRAGRANCE ACCORDS TO COMBAT THE PERCEPTION OF BODY ODOR SYMRISE GMBH & CO. KG (DE) 2009-05-14 US disclosed
US-20070298994-A1 Use of 3-Mercapto-3-Methyl-Hexan-1-Ol for Use as Malodour Standard SYMRISE GMBH & CO. KG (DE) 2007-12-27 US disclosed
EP-1029841-B1 6-Substituted 3-methyloct-6-enols GIVAUDAN SA (CH) 2003-04-09 EP disclosed
US-6297211-B1 PERFUMES AND BRANCHED UNSATURATED ALCOHOLS GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-10-02 US disclosed
EP-1029841-A1 6-Substituted 3-methyloct-6-enols Givaudan Roure (International) S.A. (CH) 2000-08-23 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 (1 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-20120101020-A1 ETHANOL-FREE PERFUME OIL MICROEMULSION FFAR2, FFAR3, FFAR1 KEAP1 3895/4885NFE2L2 1474/4885ALDH1A1 226/4885

“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.