SCHEMBL15282931

SCHEMBL15282931

CCCCCCCCCCOc1cc(OCCCCCCCCCC)c(-c2c3nc(cc4ccc([nH]4)c(-c4c(OCCCCCCCCCC)cc(OCCCCCCCCCC)cc4OCCCCCCCCCC)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c(OCCCCCCCCCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ PDE5A O76074 3/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ TSHR P16473 1/20 0.34
▸ HTR1B P28222 8/20 0.34
▸ GCGR P47871 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ HTR1D P28221 7/20 0.33
▸ HTR1A P08908 5/20 0.33
▸ MAPT P10636 2/20 0.33

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
SCHEMBL15298526 0.94 STAT3 (0.41) STAT3STAT1PDE5APDE4APDE4B
SCHEMBL30733335 0.90 STAT3 (0.47) STAT3STAT1PDE5APDE4APDE4B
SCHEMBL29395084 0.88 STAT3 (0.50) STAT3STAT1PDE5APDE4APDE4B
SCHEMBL28879055 0.87 STAT3 (0.49) STAT3STAT1PDE5APDE4APDE4B
SCHEMBL21523873 0.86 STAT3 (0.53) STAT3STAT1MAPTPLA2G2AKDM4E
SCHEMBL14848838 0.84 STAT3 (0.44) STAT3STAT1PDE5APDE4APDE4B
SCHEMBL14848833 0.83 STAT3 (0.45) STAT3STAT1PDE5APDE4APDE4B
SCHEMBL14848717 0.83 STAT3 (0.47) STAT3STAT1TSHRHTR1BGABRA1
Hydrochloric Acid SCHEMBL27856204 0.83 STAT3 (0.50) STAT3STAT1MAPTMAPK1TDP1
SCHEMBL585094 0.81 STAT3 (0.48) STAT3STAT1MAPTPLA2G2AKDM4E

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 STAT3 3890/4885STAT1 4442/4885PDE5A 4852/4885
US-20130261295-A1 Highly Active Multidentate Catalysts for Efficient Alkyne Metathesis PCNA, TRIM58, CAD STAT3 3890/4885STAT1 4442/4885PDE5A 4852/4885

“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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