SCHEMBL1613233

SCHEMBL1613233

CCc1csc(C(C)=O)c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.74
NPSR1 Q6W5P4 1/20 0.74
TP53 P04637 1/20 0.52
HPGD P15428 2/20 0.51
POLB P06746 2/20 0.51
HTT P42858 1/20 0.46
DAO P14920 3/20 0.42
GSK3B P49841 2/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
LMNA P02545 1/20 0.33
HSD17B1 P14061 1/20 0.33

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
Chlorobenzene SCHEMBL28758781 0.85 MAPT (0.56) MAPTNPSR1TP53HPGDPOLB
SCHEMBL6826333 0.83 DAO (0.59) MAPTNPSR1HPGDPOLBHTT
SCHEMBL24956336 0.82 HPGD (0.67) MAPTNPSR1HPGDPOLBHTT
SCHEMBL11636348 0.82 MAPT (0.71) MAPTNPSR1TP53HPGDPOLB
SCHEMBL19328795 0.82 MAPT (0.50) MAPTNPSR1TP53HPGDPOLB
SCHEMBL13267640 0.82 MAPT (0.50) MAPTNPSR1TP53HPGDPOLB
SCHEMBL8180294 0.80 NPSR1 (0.48) MAPTNPSR1HPGDPOLBHTT
SCHEMBL1363923 0.80 MAPT (0.69) MAPTNPSR1TP53HPGDPOLB
SCHEMBL10208115 0.79 HPGD (0.50) MAPTNPSR1TP53HPGDPOLB
SCHEMBL13125587 0.79 MAPT (0.67) MAPTNPSR1TP53HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718607-B2 Atypical coupling method for the preparation of 1,2-di(thiophen-2-yl)ethene-1,2-diol compounds via a Cu(II) catalyst QATAR UNIVERSITY (QA) 2023-08-08 US disclosed
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 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-11718607-B2 Atypical coupling method for the preparation of 1,2-di(thiophen-2-yl)ethene-1,2-diol compounds via a Cu(II) catalyst AP2A2, AP2A1, DNM2 MAPT 3574/4885NPSR1 3273/4885TP53 4448/4885
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 MAPT 2056/4885NPSR1 3540/4885TP53 1159/4885

“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.