SCHEMBL112939

SCHEMBL112939

CC(C=O)Cc1ccc(C(O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
TP53 P04637 1/20 0.58
PTGS1 P23219 4/20 0.42
PTGS2 P35354 4/20 0.42
ESR1 P03372 3/20 0.42
ALOX5 P09917 3/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
ALB P02768 1/20 0.42
RARB P10826 1/20 0.42
ADRB3 P13945 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
NR1I3 Q14994 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
CXCL8 P10145 1/20 0.42
AKR1C2 P52895 1/20 0.42

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
SCHEMBL22125101 0.85 TSHR (0.54) TSHRTP53PTGS1PTGS2ESR1
SCHEMBL1148 0.84 TSHR (0.61) TSHRTP53PTGS1PTGS2ESR1
SCHEMBL29487262 0.84 TSHR (0.61) TSHRTP53PTGS1PTGS2ESR1
SCHEMBL11479345 0.81 TSHR (0.58) TSHRTP53PTGS1PTGS2ESR1
SCHEMBL13743729 0.80 TP53 (0.61) TSHRTP53ESR1ESR2
SCHEMBL14473200 0.80 TP53 (0.61) TSHRTP53ESR1ESR2
SCHEMBL13889195 0.80 TP53 (0.61) TSHRTP53ESR1ESR2
SCHEMBL225582 0.79 TSHR (0.66) TSHRTP53PTGS1PTGS2ESR1
SCHEMBL31412811 0.79 TSHR (0.66) TSHRTP53PTGS1PTGS2ESR1
SCHEMBL6327356 0.79 TSHR (0.56) TSHRTP53PTGS1PTGS2ESR1

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 1124 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 US claimed
CN-109152711-B Method for producing perfume capsules with improved surfactant stability 西姆莱斯股份公司 2021-10-22 CN claimed
EP-3884018-A1 JASMOL Symrise AG (DE) 2021-09-29 EP claimed
CN-113056547-A Jasmine alcohol 西姆莱斯有限公司 2021-06-29 CN claimed
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
WO-2011147455-A1 FLAVORING SUBSTANCE-INCLUDED COMPOUNDS SYMRISE AG (DE) 2011-12-01 WO claimed
US-12630781-B2 Fragrance or flavour mixture SYMRISE AG (DE) 2026-05-19 US disclosed
US-12630783-B2 Muguet type fragrance compounds SYMRISE AG (DE) 2026-05-19 US disclosed
US-12625123-B2 Device and method for the analytical and sensory determination of the release of an active substance from a release system SYMRISE AG (DE) 2026-05-12 US disclosed
EP-4192614-B1 PROCESS FOR THE PREPARATION OF MICROCAPSULES SYMRISE AG (DE) 2026-05-06 EP disclosed
EP-4728447-A1 ENVIRONMENTAL ATTRIBUTES FOR AROMA CHEMICAL BASF SE (DE) 2026-04-22 EP disclosed
EP-4077299-B1 SUBSTITUTED 4-METHYLENE-TETRAHYDROPYRANS, 4-METHYL-DIHYDROPYRANS AND 4-METHYL-TETRAHYDROPYRANS AND USE THEREOF AS AROMA CHEMICALS BASF SE (DE) 2026-04-01 EP disclosed
US-20010005711-A1 Perfume compositions comprising 4,8-dimethyl-3,7-nonadien-2-one SYMRISE GMBH & CO. KG (DE) 2001-06-28 US disclosed
EP-1111029-A2 Perfume compositions containing 4,8-dimethyl-3,7-nonadien-2-one HAARMANN & REIMER GMBH (DE) 2001-06-27 EP disclosed
WO-2001043784-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2001-06-21 WO disclosed
WO-2001038440-A1 WAX FORMULATIONS CONTAINING ODORIFEROUS SUBSTANCES HAARMANN & REIMER GMBH (DE) 2001-05-31 WO disclosed
WO-2001023373-A2 1,4-DIOXACYCLOALKANE-2-ONE AND 1,4-DIOXACYCLOALKENE-2-ONE HAARMANN & REIMER GMBH (DE) 2001-04-05 WO disclosed
EP-1067126-A2 Tetracyclic acetals HAARMANN & REIMER GMBH (DE) 2001-01-10 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 (5 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-20010005711-A1 Perfume compositions comprising 4,8-dimethyl-3,7-nonadien-2-one DEK, DPM1, DEGS1 TSHR 4800/4885TP53 2347/4885PTGS1 1787/4885
US-12630783-B2 Muguet type fragrance compounds MGAT1, RFT1, CPT1A TSHR 4543/4885TP53 3604/4885PTGS1 438/4885
US-12625123-B2 Device and method for the analytical and sensory determination of the release of an active substance from a release system TAS2R7, TAS2R42, TAS2R39 TSHR 1280/4885TP53 4648/4885PTGS1 2814/4885
US-10876081-B2 Method for the production of scent capsules with improved surfactant stability SMOX, LIPA, SGMS2 TSHR 4699/4885TP53 3576/4885PTGS1 2501/4885
US-12630781-B2 Fragrance or flavour mixture NOTUM, FFAR2, FFAR1 TSHR 1719/4885TP53 1874/4885PTGS1 947/4885

“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.