SCHEMBL400786

SCHEMBL400786

CCOC(=O)c1cc2sc3cc(C(=O)OCC)sc3c2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.52
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL17448374 0.95 HDAC3 (0.49) GPR35HDAC3HDAC4HDAC1HDAC6
SCHEMBL10144299 0.91 GAA (0.50) GPR35HDAC3HDAC4HDAC1HDAC6
SCHEMBL17081033 0.90 TSHR (0.47) GPR35HDAC3HDAC4HDAC1HDAC6
SCHEMBL17447083 0.86 GAA (0.49) GPR35HDAC3HDAC4HDAC1HDAC6
SCHEMBL12606666 0.85 JAK2 (0.44) GPR35HDAC3HDAC4HDAC1HDAC6
SCHEMBL20481990 0.85 PTPN2 (0.47) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL2180231 0.85 GPR35 (0.67) GPR35HDAC3HDAC4HDAC1HDAC6
SCHEMBL17340892 0.85 ALDH1A1 (0.63) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL4570574 0.82 GAA (0.46) GPR35HDAC3HDAC4HDAC1HDAC6
SCHEMBL10174989 0.82 JAK2 (0.39) GPR35HDAC3HDAC4HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2828903-B1 OPTOELECTRONIC DEVICES COMPRISING POLYMERIC BLENDS RAYNERGY TEK INC (TW) 2017-11-01 EP disclosed
US-9312492-B2 Polymeric blends and related optoelectronic devices RAYNERGY TEK INC. (TW) 2016-04-12 US disclosed
US-20160072070-A1 POLYMERIC BLENDS AND RELATED OPTOELECTRONIC DEVICES POLYERA CORPORATION 2016-03-10 US disclosed
US-20150171332-A1 POLYMERIC BLENDS AND RELATED OPTOELECTRONIC DEVICES RAYNERGY TEK INC. (TW) 2015-06-18 US disclosed
US-8906520-B2 Sulfonated polythiophenes comprising fused ring repeat units SOLVAY USA, INC. (US) 2014-12-09 US disclosed
US-8883958-B2 Conjugated polymers and their use in optoelectronic devices RAYNERGY TEK INC. (TW) 2014-11-11 US disclosed
US-8841409-B2 Conjugated polymers and their use in optoelectronic devices POLYERA CORPORATION (US) 2014-09-23 US disclosed
US-8835598-B2 Conjugated polymers and their use in optoelectronic devices POLYERA CORPORATION (US) 2014-09-16 US disclosed
WO-2013142835-A1 CONJUGATED POLYMERS AND THEIR USE IN OPTOELECTRONIC DEVICES POLYERA CORPORATION (US) 2013-09-26 WO disclosed
WO-2013142841-A1 POLYMERIC BLENDS AND RELATED OPTOELECTRONIC DEVICES POLYERA CORPORATION (US) 2013-09-26 WO disclosed
WO-2013142845-A1 CONJUGATED POLYMERS COMPRISING A BITHIOPHENE - IMIDE - BASED UNIT AND THEIR USE IN OPTOELECTRONIC DEVICES POLYERA CORPORATION (US) 2013-09-26 WO disclosed
US-20130247991-A1 Conjugated Polymers and Their Use in Optoelectronic Devices RAYNERGY TEK INC. (TW) 2013-09-26 US disclosed
US-20130247990-A1 Conjugated Polymers and Their Use in Optoelectronic Devices RAYNERGY TEK INC. (TW) 2013-09-26 US disclosed
US-20130247992-A1 Polymeric Blends and Related Optoelectronic Devices RAYNERGY TEK INC. (TW) 2013-09-26 US disclosed
US-20130248831-A1 Conjugated Polymers and Their Use in Optoelectronic Devices POLYERA CORPORATION (US) 2013-09-26 US disclosed
EP-2595975-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX Corning Incorporated (US) 2013-05-29 EP disclosed
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 US disclosed
WO-2012012278-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED (US) 2012-01-26 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-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX GPR35, GPR65, GPR68 GPR35 1/4885HDAC3 881/4885HDAC4 1622/4885

“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.