SCHEMBL9989972

SCHEMBL9989972

c1coc(CCSSCCc2ccco2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
USP2 O75604 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PTPN7 P35236 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CHRM2 P08172 1/20 0.39
GAA P10253 2/20 0.37
ALOX5 P09917 1/20 0.37
HTR2B P41595 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL11464098 0.90 ALDH1A1 (0.40) ALDH1A1HPGDTDP1USP2CYP3A4
SCHEMBL4312563 0.86 ALDH1A1 (0.49) ALDH1A1HPGDTDP1USP2CYP3A4
SCHEMBL28588900 0.85 ALDH1A1 (0.55) ALDH1A1HPGDTDP1USP2CYP3A4
SCHEMBL269532 0.84
SCHEMBL29738635 0.84 ALDH1A1 (0.47) ALDH1A1HPGDTDP1USP2CYP3A4
SCHEMBL12553895 0.82
SCHEMBL8146532 0.82 ALDH1A1 (0.54) ALDH1A1HPGDTDP1USP2CYP3A4
SCHEMBL28774305 0.79 ALDH1A1 (0.44) ALDH1A1HPGDTDP1USP2CYP3A4
SCHEMBL11060991 0.77 ALDH1A1 (0.61) ALDH1A1HPGDTDP1USP2CYP3A4
SCHEMBL7094868 0.77 ALDH1A1 (0.67) ALDH1A1HPGDTDP1USP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110621165-B Packaged coffee beverage containing furfuryl methyl sulfide 三得利控股株式会社 2023-01-06 CN disclosed
JP-2022187352-A OLFACTORY RECEPTOR INHIBITOR, DEODORANT, DEODORIZATION METHOD エステー株式会社 2022-12-19 JP disclosed
WO-2022259864-A1 OLFACTORY RECEPTOR INHIBITOR AND APPLICATION THEREOF エステー株式会社 2022-12-15 WO disclosed
CN-106661734-B Method for manufacturing circuit board and circuit board manufactured by the same 上村工业株式会社 2022-02-25 CN disclosed
US-11040941-B2 Alkanethioic acid derivative and perfume composition containing the same T. HASEGAWA CO., LTD. (JP) 2021-06-22 US disclosed
US-20200290958-A1 NOVEL ALKANETHIOIC ACID DERIVATIVE AND PERFUME COMPOSITION CONTAINING THE SAME T. HASEGAWA CO., LTD. (JP) 2020-09-17 US disclosed
EP-2580252-B1 METHODS FOR PRODUCING TELECHELIC POLYOLEFINS FROM TERPENE INITIATORS CHEVRON ORONITE CO (US) 2016-11-09 EP disclosed
US-9187581-B2 Methods for producing telechelic polyolefins from terpene initiators CHEVRON ORONITE COMPANY LLC (US) 2015-11-17 US disclosed
US-8969484-B2 Methods of producing mono- and multi-functional polymers from terpene-based initiators CHEVRON ORONITE COMPANY LLC (US) 2015-03-03 US disclosed
EP-2729503-A2 METHODS OF PRODUCING MONO- AND MULTI-FUNCTIONAL POLYMERS FROM TERPENE-BASED INITIATORS Chevron Oronite Company LLC (US) 2014-05-14 EP disclosed
US-20130267669-A1 METHODS FOR PRODUCING TELECHELIC POLYOLEFINS FROM TERPENE INITIATORS CHEVRON ORONITE CO (US) 2013-10-10 US disclosed
US-8492491-B2 Methods for producing telechelic polyolefins from terpene initiators CHEVRON ORONITE COMPANY LLC (US) 2013-07-23 US disclosed
EP-2580252-A2 METHODS FOR PRODUCING TELECHELIC POLYOLEFINS FROM TERPENE INITIATORS Chevron Oronite Company LLC (US) 2013-04-17 EP disclosed
WO-2013009592-A2 METHODS OF PRODUCING MONO- AND MULTI-FUNCTIONAL POLYMERS FROM TERPENE-BASED INITIATORS CHEVRON ORONITE COMPANY LLC (US) 2013-01-17 WO disclosed
US-20130012662-A1 METHODS OF PRODUCING MONO- AND MULTI-FUNCTIONAL POLYMERS FROM TERPENE-BASED INITIATORS CHEVRON ORONITE COMPANY LLC 2013-01-10 US disclosed
US-20110306738-A1 METHODS FOR PRODUCING TELECHELIC POLYOLEFINS FROM TERPENE INITIATORS CHEVRON ORONITE COMPANY LLC 2011-12-15 US 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-20200290958-A1 NOVEL ALKANETHIOIC ACID DERIVATIVE AND PERFUME COMPOSITION CONTAINING THE SAME TAS1R1, TRPA1, NAT1 ALDH1A1 38/4885HPGD 1635/4885TDP1 816/4885
US-11040941-B2 Alkanethioic acid derivative and perfume composition containing the same TAS1R1, TMT1A, TRPA1 ALDH1A1 41/4885HPGD 1378/4885TDP1 840/4885

“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.