SCHEMBL13858935

SCHEMBL13858935

CCCCNC(=O)c1ccsc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HPGD P15428 3/20 0.50
ALOX15 P16050 7/20 0.47
DHODH Q02127 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NAAA Q02083 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.43
BCL2 P10415 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL20436876 0.94 NAAA (0.54) TSHRHTTALDH1A1GAACYP1A2
SCHEMBL13858907 0.88 HPGD (0.55) TSHRHTTALDH1A1GAACYP1A2
SCHEMBL20436917 0.84 DHODH (0.51) ALDH1A1GAAHPGDDHODHL3MBTL1
SCHEMBL20434471 0.82 NAAA (0.54) TSHRHTTALDH1A1GAACYP1A2
SCHEMBL2012299 0.82 NAAA (0.54) TSHRHTTALDH1A1GAACYP1A2
SCHEMBL20434453 0.82 NAAA (0.54) TSHRHTTALDH1A1GAACYP1A2
SCHEMBL162452 0.81 HTT (0.60) TSHRHTTALDH1A1GAACYP1A2
SCHEMBL20436781 0.80 HTT (0.60) TSHRHTTALDH1A1DHODHSMN1; SMN2
SCHEMBL7810359 0.76 ALOX15 (0.55) TSHRHTTALDH1A1HPGDALOX15
SCHEMBL19011349 0.75 DHODH (0.55) ALDH1A1GAAHPGDDHODHSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9761810-B2 Organic semiconductor material E.T.C. S.R.L. (IT) 2017-09-12 US disclosed
US-9761810-B2 Organic semiconductor material E.T.C. S.R.L. (IT) 2017-09-12 US disclosed
US-9761810-B2 Organic semiconductor material E.T.C. S.R.L. (IT) 2017-09-12 US disclosed
CN-103547581-B Organic semiconductor material E.T.C.有限责任公司 2017-04-05 CN disclosed
US-20150311448-A1 ORGANIC SEMICONDUCTOR MATERIAL USINVEST LLC 2015-10-29 US disclosed
US-20150311448-A1 ORGANIC SEMICONDUCTOR MATERIAL USINVEST LLC 2015-10-29 US disclosed
US-20150311448-A1 ORGANIC SEMICONDUCTOR MATERIAL USINVEST LLC 2015-10-29 US disclosed
EP-2710012-B1 ORGANIC SEMICONDUCTOR MATERIAL E T C SRL (IT) 2015-06-24 EP disclosed
EP-2710012-B1 ORGANIC SEMICONDUCTOR MATERIAL E T C SRL (IT) 2015-06-24 EP disclosed
US-20140217374-A1 ORGANIC SEMICONDUCTOR MATERIAL E.T.C. S.R.L. (IT) 2014-08-07 US disclosed
US-20140217374-A1 ORGANIC SEMICONDUCTOR MATERIAL E.T.C. S.R.L. (IT) 2014-08-07 US disclosed
US-20140217374-A1 ORGANIC SEMICONDUCTOR MATERIAL E.T.C. S.R.L. (IT) 2014-08-07 US disclosed
EP-2710012-A1 ORGANIC SEMICONDUCTOR MATERIAL E.T.C. S.r.l. (IT) 2014-03-26 EP disclosed
WO-2012156948-A1 ORGANIC SEMICONDUCTOR MATERIAL E.T.C. S.R.L. (IT) 2012-11-22 WO disclosed
WO-2012156948-A1 ORGANIC SEMICONDUCTOR MATERIAL E.T.C. S.R.L. (IT) 2012-11-22 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-20150311448-A1 ORGANIC SEMICONDUCTOR MATERIAL OR10J3, TST, OR51E2 TSHR 4616/4885HTT 2023/4885ALDH1A1 2895/4885

“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.