SCHEMBL1637191

SCHEMBL1637191

CC(C)(O)C#Cc1cccc(C(=O)c2ccc(F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.44
ABCC8 Q09428 3/20 0.44
KCNJ11 Q14654 3/20 0.44
KCNJ8 Q15842 3/20 0.44
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALPG P10696 2/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
VNN1 O95497 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK14 Q16539 2/20 0.40
HAO1 Q9UJM8 1/20 0.40
CTSL P07711 2/20 0.40
CTSK P43235 1/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1637026 0.88 L3MBTL1 (0.52) LMNASMN1; SMN2HPGDVNN1ALDH1A1
SCHEMBL7716078 0.85 ATM (0.48) LMNASMN1; SMN2ALPGHTTHPGD
SCHEMBL7715052 0.82 ATM (0.46) LMNASMN1; SMN2ALPGHTTHPGD
SCHEMBL6545360 0.82 ATM (0.46) LMNASMN1; SMN2ALPGHTTHPGD
SCHEMBL4301156 0.81 L3MBTL1 (0.53) LMNASMN1; SMN2ALPGHTTHPGD
SCHEMBL3929847 0.79 HAO1 (0.50) LMNAHTTHPGDHAO1
SCHEMBL1637624 0.79 ACACB (0.46) LMNASMN1; SMN2HTTHPGDALDH1A1
SCHEMBL3604322 0.79 VNN1 (0.44) LMNASMN1; SMN2ALPGHTTHPGD
SCHEMBL7716935 0.79 VNN1 (0.47) VNN1MAPK14HAO1TDP1ATM
SCHEMBL3121665 0.78 GRM5 (0.50) LMNAHAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042506-B1 SUBSTITUTED PHENYLETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX UBE INDUSTRIES (JP) 2012-12-19 EP disclosed
US-7932398-B2 Substituted phenylethynylgold-nitrogen-containing heterocyclic carbene complex UBE INDUSTRIES, LTD. (JP) 2011-04-26 US disclosed
US-20090234130-A1 SUBSTITUTED PHENYLETHYNYLGOLD-NITROGEN-CONTAINING HETEROCYCLIC CARBENE COMPLEX UBE INDUSTRIES, LTD. (JP) 2009-09-17 US disclosed
EP-2042506-A1 SUBSTITUTED PHENYLETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX Ube Industries, Ltd. (JP) 2009-04-01 EP 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-20090234130-A1 SUBSTITUTED PHENYLETHYNYLGOLD-NITROGEN-CONTAINING HETEROCYCLIC CARBENE COMPLEX CCRL2, CCNL2, ATXN2L ABCC9 1507/4885ABCC8 1219/4885KCNJ11 3726/4885

“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.