SCHEMBL15282932

SCHEMBL15282932

CCCCCCCCCCOc1cc(OCCCCCCCCCC)c(C2=C3C=CC(=N3)C=C3C=CC(=N3)C(c3c(OCCCCCCCCCC)cc(OCCCCCCCCCC)cc3OCCCCCCCCCC)=C3C=CC(=N3)C=C3C=CC2=N3)c(OCCCCCCCCCC)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.33
▸ TSHR P16473 1/20 0.30
▸ NR5A1 Q13285 1/20 0.30
▸ THRA P10827 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ BLM P54132 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
SCHEMBL28713240 0.86 PLA2G2A (0.36) PLA2G2ATSHRNR5A1BLM
SCHEMBL21523874 0.82 RARB (0.40) TSHRNR5A1
Hydrochloric Acid SCHEMBL27856205 0.80 RARB (0.38) TSHRNR5A1
Iodide SCHEMBL2313827 0.78 PDE5A (0.38) —
SCHEMBL585095 0.78 RARB (0.36) TSHRNR5A1
SCHEMBL7867503 0.78 MCHR1 (0.30) —
SCHEMBL7860936 0.78 MCHR1 (0.30) —
SCHEMBL2202844 0.76 TSHR (0.37) TSHRNR5A1
SCHEMBL2226184 0.75 CYP1A2 (0.32) —
SCHEMBL6847308 0.75 PLA2G2A (0.34) PLA2G2ABLM

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-20150273457-A1 HIGHLY ACTIVE MULTIDENTATE CATALYSTS FOR EFFICIENT ALKYNE METATHESIS NATIONAL SCIENCE FOUNDATION 2015-10-01 — — US disclosed
US-8993804-B2 Highly active multidentate catalysts for efficient alkyne metathesis THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2015-03-31 — — US disclosed
US-20130261295-A1 Highly Active Multidentate Catalysts for Efficient Alkyne Metathesis THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2013-10-03 — — 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-20150273457-A1 HIGHLY ACTIVE MULTIDENTATE CATALYSTS FOR EFFICIENT ALKYNE METATHESIS PCNA, TRIM58, CAD PLA2G2A 3799/4885TSHR 4815/4885NR5A1 4767/4885
US-20130261295-A1 Highly Active Multidentate Catalysts for Efficient Alkyne Metathesis PCNA, TRIM58, CAD PLA2G2A 3799/4885TSHR 4815/4885NR5A1 4767/4885

“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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