SCHEMBL819540

SCHEMBL819540

CCOC(=O)C(C)C(C)SC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX15 P16050 2/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
METAP2 P50579 4/20 0.34
METAP1 P53582 4/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLO1 Q04760 1/20 0.32
TRPA1 O75762 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 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
SCHEMBL18113315 0.83 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL6171365 0.82 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL18113118 0.79 CHRNB2 (0.34) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL1970742 0.78 SMN1; SMN2 (0.38) ALDH1A1KMT2ACYP2C9CYP2C19TSHR
SCHEMBL18113151 0.78 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL11063755 0.78 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL18113109 0.77 LMNA (0.32) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL18113185 0.77 METAP2 (0.33) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL1977310 0.77 TSHR (0.42) TSHR
SCHEMBL19318891 0.77 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334201-B1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAKASAGO PERFUMERY CO LTD (JP) 2016-07-27 EP claimed
US-20110256071-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-10-20 US claimed
EP-2334201-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS Takasago International Corporation (JP) 2011-06-22 EP claimed
WO-2010042938-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-04-15 WO claimed
US-10011668-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-07-03 US disclosed
US-20180057622-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-03-01 US disclosed
EP-2334201-B1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAKASAGO PERFUMERY CO LTD (JP) 2016-07-27 EP disclosed
US-8536364-B2 Method for producing sulfur-containing carboxylic acid esters TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-17 US disclosed
US-8445051-B2 Thiol-containing fragrance and flavor materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-21 US disclosed
EP-2452933-A1 Method for producing sulfur-containing carboxylic acid esters Takasago International Corporation (JP) 2012-05-16 EP disclosed
US-20110282089-A1 METHOD FOR PRODUCING SULFUR-CONTAINING CARBOXYLIC ACID ESTERS TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-11-17 US disclosed
US-20110256071-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-10-20 US disclosed
EP-2334201-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS Takasago International Corporation (JP) 2011-06-22 EP disclosed
WO-2010042938-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-04-15 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 (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-20110256071-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAS1R1, TAS2R1, TAS2R5 ALDH1A1 29/4885LMNA 4318/4885HSD17B10 383/4885
US-20110282089-A1 METHOD FOR PRODUCING SULFUR-CONTAINING CARBOXYLIC ACID ESTERS CBR3, ALDH18A1, TAS2R3 ALDH1A1 37/4885LMNA 4844/4885HSD17B10 104/4885

“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.