SCHEMBL18980704

SCHEMBL18980704

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 2/20 0.36
▸ RARG P13631 1/20 0.36
▸ KCNH2 Q12809 1/20 0.34
▸ KIF11 P52732 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ ACACB O00763 2/20 0.32
▸ MAOB P27338 1/20 0.32
▸ AOC3 Q16853 1/20 0.32
▸ SLC1A5 Q15758 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP12 P39900 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
SCHEMBL18980706 1.00 RARB (0.36) RARBRARGKCNH2KIF11EGLN1
SCHEMBL18980825 0.87 KCNH2 (0.33) KCNH2KIF11EGLN1MAOBAOC3
SCHEMBL18980823 0.87 KCNH2 (0.33) KCNH2KIF11EGLN1MAOBAOC3
SCHEMBL18980647 0.82 RARB (0.38) RARBRARGKCNH2KIF11EGLN1
SCHEMBL1460918 0.81 NPSR1 (0.45) KCNH2CYP2C9CYP2C19MMP2MMP12
SCHEMBL1460921 0.81 NPSR1 (0.45) KCNH2CYP2C9CYP2C19MMP2MMP12
SCHEMBL18980593 0.81 APP (0.41) KCNH2EGLN1ACACBMMP2MMP12
SCHEMBL18980591 0.81 APP (0.41) KCNH2EGLN1ACACBMMP2MMP12
SCHEMBL26775741 0.74 RARB (0.44) RARBRARGKCNH2KIF11EGLN1
SCHEMBL8960112 0.71 RARB (0.48) RARBRARGKCNH2KIF11ACACB

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
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
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 RARB 327/4885RARG 710/4885KCNH2 1769/4885
US-10118169-B2 Chiral ligand-based metal-organic frameworks for broad-scope asymmetric catalysis POF1B, FGFR1, COASY RARB 327/4885RARG 710/4885KCNH2 1769/4885

“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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