SCHEMBL19973056

SCHEMBL19973056

C=CCC1CCCCCC1=C(C#N)C#N

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.38
NOS2 P35228 4/20 0.38
NOS3 P29474 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL20990766 0.76 ALDH1A1 (0.31) ALDH1A1HSD17B10
SCHEMBL14246443 0.70 NOS1 (0.46) NOS1NOS2NOS3ALDH1A1
SCHEMBL1133456 0.69 NOS1 (0.36) NOS1NOS2NOS3
SCHEMBL5064686 0.68 NOS1 (0.44) NOS1NOS2NOS3ALDH1A1
SCHEMBL7157465 0.68 NOS1 (0.44) NOS1NOS2NOS3ALDH1A1
SCHEMBL10502755 0.68 NOS1 (0.44) NOS1NOS2NOS3ALDH1A1
SCHEMBL1133238 0.68 NOS1 (0.44) NOS1NOS2NOS3
SCHEMBL19973080 0.68
SCHEMBL13576632 0.67 NOS1 (0.47) NOS1NOS2NOS3
SCHEMBL1133545 0.67 NOS1 (0.52) NOS1NOS2NOS3

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
US-20240376041-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-11-14 US disclosed
US-12098115-B2 Methods and compositions for terpenoid synthesis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-09-24 US disclosed
US-11952327-B2 Methods and compositions for terpenoid synthesis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-04-09 US disclosed
US-20240025843-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2024-01-25 US disclosed
US-20190270700-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS UNIV FLORIDA (US) 2019-09-05 US disclosed
WO-2018053322-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2018-03-22 WO 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 (5 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-11952327-B2 Methods and compositions for terpenoid synthesis SQLE, GGPS1, LSS NOS1 2654/4885NOS2 1940/4885NOS3 1938/4885
US-20240376041-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS SQLE, GGPS1, LSS NOS1 2654/4885NOS2 1940/4885NOS3 1938/4885
US-20240025843-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS SQLE, GGPS1, LSS NOS1 2654/4885NOS2 1940/4885NOS3 1938/4885
US-12098115-B2 Methods and compositions for terpenoid synthesis SQLE, GGPS1, LSS NOS1 2654/4885NOS2 1940/4885NOS3 1938/4885
US-20190270700-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS SQLE, GGPS1, LSS NOS1 2853/4885NOS2 2028/4885NOS3 2010/4885

“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.