SCHEMBL18980910

SCHEMBL18980910

C=CCOCC#Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.34
▸ MAOB P27338 2/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ IDO1 P14902 2/20 0.32
▸ TGM2 P21980 1/20 0.31
▸ SLC6A4 P31645 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ SIGMAR1 Q99720 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
SCHEMBL18980647 0.84 RARB (0.38) KIF11EGLN1MAOBAOC3KCNH2
SCHEMBL18980823 0.81 KCNH2 (0.33) KIF11EGLN1MAOBAOC3KCNH2
SCHEMBL18980825 0.81 KCNH2 (0.33) KIF11EGLN1MAOBAOC3KCNH2
SCHEMBL19010037 0.79 LMNA (0.41) EGLN1KCNH2LMNA
SCHEMBL29080277 0.78 KIF11 (0.40) KIF11EGLN1MAOBAOC3IDO1
SCHEMBL8706112 0.78 CYP1A2 (0.44) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL20702293 0.76 APP (0.43) EGLN1KCNH2SMN1; SMN2
SCHEMBL23005173 0.73 SLC6A4 (0.32) EGLN1MAOBAOC3SLC6A4HRH3
SCHEMBL1400474 0.71 CA12 (0.49) MAOBAOC3LMNASMN1; SMN2
SCHEMBL29107266 0.70 FFAR1 (0.40) MAOBAOC3SLC6A4LMNAHTR2A

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 KIF11 2331/4885EGLN1 4418/4885MAOB 575/4885
US-10118169-B2 Chiral ligand-based metal-organic frameworks for broad-scope asymmetric catalysis POF1B, FGFR1, COASY KIF11 2331/4885EGLN1 4418/4885MAOB 575/4885

“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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