SCHEMBL1301743

SCHEMBL1301743

CCC(CCc1ccccc1)OC(C)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MMP12 P39900 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
SLC6A4 P31645 2/20 0.40
KCNH2 Q12809 2/20 0.40
OPRK1 P41145 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
LMNA P02545 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL14587076 0.78 MMP12 (0.53) TSHRSMN1; SMN2MMP12
SCHEMBL1834380 0.77 MMP12 (0.50) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3815515 0.77 MMP12 (0.41) TSHRSMN1; SMN2MMP12
SCHEMBL10783170 0.76 CTSK (0.48) TRPA1SLC6A2SLC6A3SLC6A4
SCHEMBL104846 0.75 ANPEP (0.43) MMP12
SCHEMBL2524872 0.74 DPP4 (0.49) TRPA1TSHRMEN1KMT2AALDH1A1
SCHEMBL108799 0.74 DPP4 (0.49) TRPA1TSHRMEN1KMT2AALDH1A1
SCHEMBL16673219 0.73 PRKCA (0.50) TSHRSMN1; SMN2MEN1KMT2AMMP12
SCHEMBL2942774 0.73 TSHR (0.53) TSHRSMN1; SMN2MEN1KMT2AHTT
SCHEMBL109557 0.73 TSHR (0.53) TSHRSMN1; SMN2MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN claimed
CN-100356901-C Body odor mimetic composition and perfume composition for suppressing body odor TAKASAGO PERFUMERY CO LTD (JP) 2007-12-26 CN claimed
US-12036308-B2 Transparent liquid composition SHISEIDO COMPANY, LTD. (JP) 2024-07-16 US disclosed
US-20240199528-A1 ISOBUTYRIC ACID ESTER COMPOUND HAVING ALKENOYLOXY GROUP AT ALPHA-POSITION, PERFUME COMPOSITION, AND USE AS PERFUME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-06-20 US disclosed
US-20240158331-A1 ALDEHYDE COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-05-16 US disclosed
EP-4357329-A1 ALICYCLIC ALCOHOL, ALICYCLIC ALCOHOL COMPOSITION, AND PERFUME COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-04-24 EP disclosed
EP-4353327-A1 PERFUME COMPOSITION Kao Corporation (JP) 2024-04-17 EP disclosed
EP-4349416-A1 ISOBUTYRIC ACID ESTER COMPOUND HAVING ALKENOYLOXY GROUP AT a-POSITION, PERFUME COMPOSITION, AND USE AS PERFUME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-04-10 EP disclosed
EP-4082621-B1 ISOBUTYRATE ESTER COMPOUND HAVING CARBONATE GROUP AT alpha-POSITION, AND FRAGRANCE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2024-02-28 EP disclosed
US-20240058239-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2024-02-22 US disclosed
US-11866403-B2 Carboxylic acid ester compound, method for producing the same, composition, and, fragrance composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-01-09 US disclosed
EP-1698684-A1 Alkyl cycloheptylmethyl carbonates and perfume compositions Kao Corporation (JP) 2006-09-06 EP disclosed
EP-1689256-A1 FOOD PRODUCTS CONTAINING A FRUIT COMPONENT Takasago International Corporation (JP) 2006-08-16 EP disclosed
CN-1756525-A Body odor mimetic composition and perfume composition for suppressing body odor TAKASAGO PERFUMERY CO LTD (JP) 2006-04-05 CN disclosed
CN-1732019-A Deodorant composition TAKASAGO PERFUMERY CO LTD (JP) 2006-02-08 CN disclosed
WO-2005048743-A1 FOOD PRODUCTS CONTAINING A FRUIT COMPONENT TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-02 WO disclosed
CN-1165282-C Perfume compositions 2004-09-08 CN disclosed
US-20030198718-A1 Process for improving the durability of, and/or stabilizing, microbially perishable products SCHUR JORG PETER (DE) 2003-10-23 US disclosed
US-6514551-B1 Adjuvant comprising microbicidally active flavoring agent; cutting agent which comprises an antimicrobial composition of benzyl alcohol, flavoring polyphenol and a vegetable oil SCHUR JORG PETER (DE) 2003-02-04 US disclosed
CN-1305367-A Perfume composition PROCTER & GAMBLE (US) 2001-07-25 CN 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 (4 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-20240058239-A1 FRAGRANCE COMPOSITION F5, TRPA1, FEM1B TRPA1 2/4885TSHR 1931/4885SMN1; SMN2 3351/4885
US-11866403-B2 Carboxylic acid ester compound, method for producing the same, composition, and, fragrance composition COASY, FAR1, NOTUM TRPA1 110/4885TSHR 4122/4885SMN1; SMN2 4067/4885
US-20240158331-A1 ALDEHYDE COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION ALDH1A1, ALDH16A1, ALDH5A1 TRPA1 16/4885TSHR 4790/4885SMN1; SMN2 2566/4885
US-20240199528-A1 ISOBUTYRIC ACID ESTER COMPOUND HAVING ALKENOYLOXY GROUP AT ALPHA-POSITION, PERFUME COMPOSITION, AND USE AS PERFUME CYP1B1, CPT1A, FAAH2 TRPA1 49/4885TSHR 4223/4885SMN1; SMN2 3636/4885

“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.