SCHEMBL18980647

SCHEMBL18980647

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 2/20 0.38
▸ RARG P13631 1/20 0.38
▸ KCNH2 Q12809 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.34
▸ ACACB O00763 3/20 0.33
▸ MAOB P27338 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ SLC1A5 Q15758 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ACHE P22303 2/20 0.31
▸ BCHE P06276 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ APP P05067 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ LMNA P02545 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
SCHEMBL18980910 0.84 KIF11 (0.35) KCNH2KIF11EGLN1MAOBAOC3
SCHEMBL18980704 0.82 RARB (0.36) RARBRARGKCNH2KIF11EGLN1
SCHEMBL18980706 0.82 RARB (0.36) RARBRARGKCNH2KIF11EGLN1
SCHEMBL20702293 0.79 APP (0.43) KCNH2EGLN1ACACBMAPTSMN1; SMN2
SCHEMBL19010037 0.79 LMNA (0.41) KCNH2EGLN1SLC1A5MAPTTSHR
SCHEMBL8706112 0.78 CYP1A2 (0.44) MAPTAPP
SCHEMBL26775741 0.76 RARB (0.44) RARBRARGKCNH2KIF11EGLN1
SCHEMBL9627916 0.71 APP (0.45) KCNH2SMN1; SMN2ACHEBCHETSHR
SCHEMBL14028583 0.71 KMT2A (0.47) MAOBAOC3SMN1; SMN2TSHRAPP
SCHEMBL6232531 0.71 SMN1; SMN2 (0.50) MAOBAOC3MAPTSMN1; SMN2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433230-B Preparation method of phosphono dihydropyran derivative 广东工业大学 2025-04-11 — — CN disclosed
CN-115433230-A Preparation method of phosphono dihydropyran derivative 广东工业大学 2022-12-06 — — CN disclosed
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
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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