SCHEMBL112335

SCHEMBL112335

C=CCC(CC(C)C)C(O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
RNPEP Q9H4A4 1/20 0.38
SLC7A5 Q01650 1/20 0.38
CYP2C19 P33261 1/20 0.34
CPA1 P15085 1/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
CYP2C9 P11712 1/20 0.32
TP53 P04637 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
ATM Q13315 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
SCHEMBL2824755 0.82 GRIK1 (0.40) GRIK1GRIK2RNPEPSLC7A5CYP2C19
SCHEMBL16429595 0.75 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TSHR
SCHEMBL28364856 0.74 CA2 (0.41) TSHRALDH1A1SLC1A3SLC1A2
SCHEMBL16115927 0.74 CACNA2D1 (0.45) RNPEPSLC7A5TSHRALDH1A1SLC1A3
SCHEMBL1885655 0.74 GRIK1 (0.62) GRIK1GRIK2RNPEPSLC7A5CYP2C19
SCHEMBL7305997 0.74 GRIK1 (0.62) GRIK1GRIK2RNPEPSLC7A5CYP2C19
SCHEMBL4795102 0.74 GRIK1 (0.62) GRIK1GRIK2RNPEPSLC7A5CYP2C19
SCHEMBL22367764 0.69 GRIK1 (0.42) GRIK1GRIK2RNPEPCYP2C19CPA1
SCHEMBL1865400 0.69 TSHR (0.41) GRIK1GRIK2CYP2C19CPA1TSHR
SCHEMBL7421629 0.69 TSHR (0.41) GRIK1GRIK2CYP2C19CPA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10876081-B2 Method for the production of scent capsules with improved surfactant stability SYMRISE AG (DE) 2020-12-29 US claimed
EP-3423028-B1 METHOD FOR THE PRODUCTION OF ENCAPSULATED FRAGRANCE WITH IMPROVED STABILITY AGAINST DETERGENTS SYMRISE AG (DE) 2020-04-08 EP claimed
WO-2020015880-A1 BI-PHASE DEODORIZING COSMETIC COMPOSITION BEIERSDORF AG (DE) 2020-01-23 WO claimed
US-20240123714-A1 CONSUMER PRODUCT CONOPCO, INC., D/B/A UNILEVER 2024-04-18 US disclosed
US-11946026-B2 Fabric care composition and method for improving fragrance intensity with isopropyl myristate INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2024-04-02 US disclosed
EP-4294637-A1 CONSUMER PRODUCT Unilever IP Holdings B.V. (NL) 2023-12-27 EP disclosed
US-20230287299-A1 IRRITATION MITIGATING SURFACTANTS CONOPCO, INC., D/B/A UNILEVER (US) 2023-09-14 US disclosed
EP-3824062-B1 BENEFIT AGENT DELIVERY PARTICLES UNILEVER GLOBAL IP LTD (GB) 2023-08-30 EP disclosed
CN-116509735-A Fragrance and flavor compositions containing acetophenone derivatives 西姆莱斯股份公司 2023-08-01 CN disclosed
EP-3033066-B1 POLYUREA OR POLYURETHANE CAPSULES INT FLAVORS & FRAGRANCES INC (US) 2023-07-12 EP disclosed
US-20230172820-A1 Compositions Containing Microcapsules INTERNATIONAL FLAVORS & FRAGRANCES INC. 2023-06-08 US disclosed
EP-1417372-A1 FRAGRANCE COMPOSITIONS FOR CO2 DRY CLEANING PROCESS Symrise GmbH & Co. KG (DE) 2004-05-12 EP disclosed
US-20040048771-A1 Encapsulated perfume compositions in hair and skin products which release a burst of fragrance after initial topical application SYMRISE, INC. 2004-03-11 US disclosed
US-20040001891-A1 Controlled release encapsulation SYMRISE AG (DE) 2004-01-01 US disclosed
US-20030199412-A1 Fragrance containing cleaning product HAARMANN & REIMER 2003-10-23 US disclosed
US-20030087774-A1 Fragrance compositions for the CO2 washing process SYMRISE GMBH & CO. KG (DE) 2003-05-08 US disclosed
US-20030068295-A1 Odor neutralizers SYMRISE AG (DE) 2003-04-10 US disclosed
WO-2003010381-A1 FRAGRANCE COMPOSITIONS FOR CO2 DRY CLEANING PROCESS SYMRISE GMBH & CO. KG (DE) 2003-02-06 WO disclosed
EP-1239890-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2002-09-18 EP disclosed
WO-2001043784-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2001-06-21 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-20030068295-A1 Odor neutralizers OXER1, OR51E2, OR10J3 GRIK1 407/4885GRIK2 1020/4885RNPEP 4118/4885
US-20230172820-A1 Compositions Containing Microcapsules COPE, SAAL1, AUP1 GRIK1 3832/4885GRIK2 3575/4885RNPEP 977/4885
US-10876081-B2 Method for the production of scent capsules with improved surfactant stability SMOX, LIPA, SGMS2 GRIK1 1291/4885GRIK2 1265/4885RNPEP 2432/4885

“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.