SCHEMBL18980591

SCHEMBL18980591

CC/C=C\COCC#Cc1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.41
▸ MCHR1 Q99705 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ ACACB O00763 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
SCHEMBL18980593 1.00 APP (0.41) APPMCHR1CHRM2CHRM1GRM5
SCHEMBL1460918 0.83 NPSR1 (0.45) KCNH2CA12CA1CA2CA7
SCHEMBL1460921 0.83 NPSR1 (0.45) KCNH2CA12CA1CA2CA7
SCHEMBL9834499 0.82 APP (0.53) APPMCHR1CHRM2CHRM1GRM5
SCHEMBL20702293 0.81 APP (0.43) APPMCHR1CHRM2CHRM1GRM5
SCHEMBL18980704 0.81 RARB (0.36) KCNH2EGLN1MMP2MMP12ACACB
SCHEMBL18980706 0.81 RARB (0.36) KCNH2EGLN1MMP2MMP12ACACB
SCHEMBL18980823 0.79 KCNH2 (0.33) KCNH2EGLN1
SCHEMBL18980825 0.79 KCNH2 (0.33) KCNH2EGLN1
SCHEMBL10102350 0.73 APP (0.55) APPMCHR1KCNH2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10118169-B2 Chiral ligand-based metal-organic frameworks for broad-scope asymmetric catalysis THE UNIVERSITY OF CHICAGO (US) 2018-11-06 — — US disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 — — 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-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS POF1B, FGFR1, COASY APP 4025/4885MCHR1 2751/4885CHRM2 2209/4885
US-10118169-B2 Chiral ligand-based metal-organic frameworks for broad-scope asymmetric catalysis POF1B, FGFR1, COASY APP 4025/4885MCHR1 2751/4885CHRM2 2209/4885

“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.

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