SCHEMBL737969

SCHEMBL737969

CC(=O)c1ccc(C#CCO)c(C)c1C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.32
MMP12 P39900 1/20 0.32
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LYN P07948 1/20 0.30
SRC P12931 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL739254 0.80 AKR1C3 (0.41) MAPTCYP2C19TDP1
SCHEMBL15357881 0.68 CYP46A1 (0.48) MAPTCYP2C9CYP2C19TDP1L3MBTL1
SCHEMBL9743391 0.67 TP53 (0.40) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL79944 0.67 FFAR1 (0.45) MAPTCYP2C9CYP2C19SMN1; SMN2FFAR1
SCHEMBL7177477 0.66 SMN1; SMN2 (0.39) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL3117998 0.66 CYP1A2 (0.48) SMN1; SMN2TDP1
SCHEMBL5300504 0.66 HSD17B1 (0.46) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL28613954 0.66 CCNC (0.32)
SCHEMBL79177 0.66 ALDH1A1 (0.41) MAPT
SCHEMBL14493327 0.66 TRPA1 (0.45) MAPTTDP1LYNSRC

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-1847545-B1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME UBE INDUSTRIES (JP) 2013-03-06 EP disclosed
US-8137821-B2 Substituted ethynyl gold-nitrogen containing heterocyclic carbene complex and organic electroluminescent device using the same UBE INDUSTRIES, LTD. (JP) 2012-03-20 US disclosed
US-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same UBE INDUSTRIES, LTD. (JP) 2009-04-09 US disclosed
EP-1847545-A1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Ube Industries, Ltd. (JP) 2007-10-24 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-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same ACSL3, ATXN2L, ACSL1 MMP2 4486/4885MMP12 4743/4885MAPT 4507/4885

“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.