SCHEMBL5337498

SCHEMBL5337498

CCCCC(CC)COC(=O)c1cc(S)cc(C(=O)OCC(CC)CCCC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
TSHR P16473 3/20 0.64
MAPK1 P28482 3/20 0.64
CYP3A4 P08684 4/20 0.60
LMNA P02545 3/20 0.60
HSD17B10 Q99714 1/20 0.60
CA2 P00918 1/20 0.59
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
ESR1 P03372 5/20 0.40
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38

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
SCHEMBL6578078 0.93 ALDH1A1 (0.72) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL27255797 0.87 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL7995097 0.87 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL6575565 0.87 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL27359831 0.87 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL4449137 0.87 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL9859129 0.86 ALDH1A1 (0.71) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL108377 0.84 ALDH1A1 (0.73) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL32670285 0.84 ALDH1A1 (0.73) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL30823218 0.84 ALDH1A1 (0.73) ALDH1A1TSHRMAPK1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312266-B2 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers THE COLLEGE OF WILLIAM AND MARY (US) 2007-12-25 US disclosed
US-7312266-B2 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers THE COLLEGE OF WILLIAM AND MARY (US) 2007-12-25 US disclosed
US-7250457-B2 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers THE COLLEGE OF WILLIAM AND MARY (US) 2007-07-31 US disclosed
US-7250457-B2 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers THE COLLEGE OF WILLIAM AND MARY (US) 2007-07-31 US disclosed
US-6927247-B2 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers THE COLLEGE OF WILLIAM AND MARY (US) 2005-08-09 US disclosed
EP-1521803-A2 ORGANIC THIOL METAL-FREE STABILIZERS AND PLASTICIZERS FOR HALOGEN-CONTAINING POLYMERS The College of William and Mary (US) 2005-04-13 EP disclosed
US-20050049307-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers COLLEGE OF WILLIAM AND MARY, THE 2005-03-03 US disclosed
US-20040220310-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers THE COLLEGE OF WILLIAM AND MARY 2004-11-04 US disclosed
US-6762231-B2 MERCAPTAN-CONTAINING ALIPHATIC DIESTER UTILIZED FOR HALOGEN-CONTAINING POLYMERS, ESPECIALLY POLY(VINYL CHLORIDE); THE COLLEGE OF WILLIAM AND MARY 2004-07-13 US disclosed
US-6747081-B2 FOR DISCOLORATION INHIBITON OF HALOPOLYMERS SUCH AS POLYVINYL CHLORIDE POLY(VINYLIDENE CHLORIDE), POLY(VINYL BROMIDE), POLY(VINYLIDENE BROMIDE), CHLORINATED POLY(VINYL CHLORIDE), CHLORINATED POLYETHYLENE, CHLORINATED RUBBER THE COLLEGE OF WILLIAM AND MARY 2004-06-08 US disclosed
WO-2003106550-A2 ORGANIC THIOL METAL-FREE STABILIZERS AND PLASTICIZERS FOR HALOGEN-CONTAINING POLYMERS THE COLLEGE OF WILLIAM AND MARY (US) 2003-12-24 WO disclosed
US-6667357-B2 Organic thiol is an aromatic compound having at least one sulfhydryl group attached indirectly or directly to a benzene ring THE COLLEGE OF WILLIAM AND MARY 2003-12-23 US disclosed
US-20030220429-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers COLLEGE OF WILLIAM AND MARY, THE 2003-11-27 US disclosed
US-20030055141-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers COLLEGE OF WILLIAM AND MARY, THE 2003-03-20 US disclosed
US-20020128363-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers THE COLLEGE OF WILLIAM & MARY (US) 2002-09-12 US disclosed
US-20020115769-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers THE COLLEGE OF WILLIAM & MARY (US) 2002-08-22 US disclosed
WO-2002048250-A2 ORGANIC THIOL METAL-FREE STABILIZERS AND PLASTICIZERS FOR HALOGEN-CONTAINING POLYMERS THE COLLEGE OF WILLIAM AND MARY (US) 2002-06-20 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 (1 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-20050049307-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers TST, LANCL1, TTPA ALDH1A1 203/4885TSHR 2013/4885MAPK1 2739/4885

“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.