SCHEMBL17367305

SCHEMBL17367305

CCCCCCCCCCOc1cc(C(C)=O)cc(C(=O)OC)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.59
SMPD1 P17405 3/20 0.50
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
PLA2G4B P0C869 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
BLM P54132 1/20 0.46
ESR1 P03372 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46

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
SCHEMBL17407557 0.98 PLA2G2A (0.56) PLA2G2ASMPD1GAATP53TSHR
SCHEMBL19829354 0.94 PLA2G2A (0.66) PLA2G2ASMPD1TP53TSHRPLA2G4B
SCHEMBL1822124 0.94 PLA2G2A (0.66) PLA2G2ASMPD1TP53TSHRPLA2G4B
SCHEMBL9402623 0.94 PLA2G2A (0.66) PLA2G2ASMPD1TP53TSHRPLA2G4B
SCHEMBL7089932 0.94 PLA2G2A (0.66) PLA2G2ASMPD1TP53TSHRPLA2G4B
SCHEMBL15956200 0.94 PLA2G2A (0.66) PLA2G2ASMPD1TP53TSHRPLA2G4B
SCHEMBL2710788 0.94 PLA2G2A (0.66) PLA2G2ASMPD1TP53TSHRPLA2G4B
SCHEMBL17413301 0.92 PLA2G2A (0.63) PLA2G2ASMPD1TP53TSHRPLA2G4B
SCHEMBL25327393 0.91 PLA2G2A (0.71) PLA2G2ASMPD1TP53TSHRPLA2G4B
SCHEMBL317989 0.91 PLA2G2A (0.71) PLA2G2ASMPD1TP53TSHRPLA2G4B

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-20170313652-A1 Poly-Cyanostilbene Macrocycles NATIONAL SCIENCE FOUNDATION 2017-11-02 US disclosed
US-9701621-B2 Poly-cyanostilbene macrocycles INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2017-07-11 US disclosed
US-20150376122-A1 Poly-Cyanostilbene Macrocycles INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2015-12-31 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-20150376122-A1 Poly-Cyanostilbene Macrocycles PCBP1, HCCS, ACVR2B PLA2G2A 4857/4885SMPD1 4869/4885GAA 2780/4885
US-20170313652-A1 Poly-Cyanostilbene Macrocycles PCBP1, HCCS, ACVR2B PLA2G2A 4857/4885SMPD1 4869/4885GAA 2780/4885

“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.