SCHEMBL4278557

SCHEMBL4278557

C#CCOc1ccc(C(C)(c2ccc(OCC#C)cc2)c2ccc(OCC#C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.49
▸ CA4 P22748 4/20 0.49
▸ CA9 Q16790 4/20 0.49
▸ CA1 P00915 2/20 0.49
▸ GSTP1 P09211 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ MAOB P27338 9/20 0.47
▸ MAOA P21397 8/20 0.47
▸ ACHE P22303 1/20 0.45
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL15803992 0.94 CA12 (0.45) CA12CA4CA9CA1GSTP1
SCHEMBL23813386 0.93 MAOB (0.48) CA12CA4CA9CA1GSTP1
SCHEMBL14222920 0.91 ESR1 (0.47) CA12CA4CA9CA1GSTP1
SCHEMBL5104116 0.88 SMN1; SMN2 (0.50) CA12CA4CA9CA1GSTP1
SCHEMBL8161375 0.88 CA12 (0.49) CA12CA4CA9CA1GSTP1
SCHEMBL13592453 0.86 GSTP1 (0.42) CA12CA4CA9CA1GSTP1
SCHEMBL23911695 0.85 SMN1; SMN2 (0.47) CA12CA4CA9CA1GSTP1
SCHEMBL5704167 0.82 CA12 (0.63) CA12CA4CA9CA1GSTP1
SCHEMBL8507007 0.82 SMN1; SMN2 (0.57) CA12CA4CA9CA1GSTP1
SCHEMBL14962795 0.82 MAOA (0.46) CA12CA4CA9CA1GSTP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0890615-B1 High temperature crosslinkable liquid crystalline polyester compositions DAINIPPON INK & CHEMICALS (JP) 2000-05-03 — — EP claimed
EP-0890615-A1 High temperature crosslinkable liquid crystalline polyester compositions DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-01-13 — — EP claimed
US-20100121022-A1 1,3-DIPOLAR CYCLOADDITION OF AZIDES TO ALKYNES HENKEL AG & CO. KGAA (DE) 2010-05-13 — — US disclosed
US-20100121022-A1 1,3-DIPOLAR CYCLOADDITION OF AZIDES TO ALKYNES HENKEL AG & CO. KGAA (DE) 2010-05-13 — — US disclosed
US-20090306310-A1 Method of using click chemistry to functionalize dendrimers THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-10 — — US disclosed
US-20090069561-A1 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 — — US disclosed
US-20090069561-A1 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 — — US disclosed
US-20090069561-A1 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 — — US disclosed
EP-0890615-B1 High temperature crosslinkable liquid crystalline polyester compositions DAINIPPON INK & CHEMICALS (JP) 2000-05-03 — — EP disclosed
EP-0890615-A1 High temperature crosslinkable liquid crystalline polyester compositions DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-01-13 — — EP 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 (1 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-20090069561-A1 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS CROCC, JAK3, APOBEC3A CA12 3696/4885CA4 3478/4885CA9 3672/4885

“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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