SCHEMBL4740340

SCHEMBL4740340

CCOC(=O)C1(C(C)=O)CC=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.36
OPRM1 P35372 6/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
ATM Q13315 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL609526 0.90 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10POLBOPRM1
SCHEMBL16065515 0.84 OPRM1 (0.38) ALDH1A1LMNAHSD17B10POLBOPRM1
SCHEMBL373936 0.81 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10POLBOPRM1
SCHEMBL13755065 0.81 SLC22A1 (0.39) ALDH1A1POLBOPRM1SMN1; SMN2OPRD1
SCHEMBL12933673 0.81 ALDH1A1 (0.35) ALDH1A1LMNAHSD17B10POLBOPRM1
SCHEMBL15074623 0.78 SMN1; SMN2 (0.38) POLBOPRM1SMN1; SMN2OPRD1OPRK1
SCHEMBL5787834 0.78 SMN1; SMN2 (0.42) ALDH1A1LMNAHSD17B10POLBOPRM1
SCHEMBL7102497 0.78 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10POLBOPRM1
SCHEMBL11470013 0.77 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10POLBOPRM1
SCHEMBL12751319 0.77 BRD4 (0.45) ALDH1A1LMNAHSD17B10POLBOPRM1

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
US-9701704-B2 Catalysts for (E)-selective olefin metathesis CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-07-11 US disclosed
US-20170022231-A1 CATALYSTS FOR (E)-SELECTIVE OLEFIN METATHESIS CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-01-26 US disclosed
US-8361922-B2 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins MATERIA, INC. (US) 2013-01-29 US disclosed
US-20120123133-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-05-17 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 (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-20170022231-A1 CATALYSTS FOR (E)-SELECTIVE OLEFIN METATHESIS COASY, FDFT1, SQLE ALDH1A1 1299/4885LMNA 4006/4885HSD17B10 1070/4885
US-20120123133-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS ORC3, OXER1, CBR3 ALDH1A1 2951/4885LMNA 4764/4885HSD17B10 1888/4885

“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.