SCHEMBL4672146

SCHEMBL4672146

C#CCc1ccccc1C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
LMNA P02545 2/20 0.57
TSHR P16473 1/20 0.50
HSD17B10 Q99714 3/20 0.49
CFTR P13569 1/20 0.49
HIF1A Q16665 1/20 0.48
KMT2A Q03164 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 4/20 0.47
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.47
ATM Q13315 1/20 0.47
GLA P06280 1/20 0.45
HTT P42858 1/20 0.44
EGFR P00533 1/20 0.44
NOX4 Q9NPH5 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7276972 0.84 ALDH1A1 (0.58) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL4672367 0.83 ALDH1A1 (0.62) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL2427784 0.83 ALDH1A1 (0.57) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL29548152 0.83 ALDH1A1 (0.57) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL28734857 0.82 ALDH1A1 (0.42) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL27638392 0.81 BRD4 (0.43) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL14147250 0.81 ALDH1A1 (0.44) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL22863726 0.80 CA1 (0.39) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL10360804 0.80 ALDH1A1 (0.77) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL70322 0.80 ALDH1A1 (0.66) ALDH1A1LMNATSHRHSD17B10CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888233-A2 HETEROGENEOUS ALKYNE METATHESIS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-02-20 EP disclosed
WO-2006135631-A2 HETEROGENEOUS ALKYNE METATHESIS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2006-12-21 WO disclosed
US-20060281938-A1 HETEROGENEOUS ALKYNE METATHESIS ENERGY, UNITED STATES DEPARTMENT OF 2006-12-14 US 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-20060281938-A1 HETEROGENEOUS ALKYNE METATHESIS SOD1, DNMT1, SCO2 ALDH1A1 842/4885LMNA 3054/4885TSHR 4543/4885

“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.