SCHEMBL3094129

SCHEMBL3094129

CCCCCCN1CCNC(C)C1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 7/20 0.39
GNAI3 P08754 6/20 0.39
GNAI1 P63096 6/20 0.39
GBA1 P04062 6/20 0.37
EBP Q15125 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GBA2 Q9HCG7 8/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL3112405 0.98 GNAO1 (0.37) GNAO1GNAI3GNAI1GBA1EBP
SCHEMBL3093990 0.93 MEN1 (0.34) GNAO1GNAI3GNAI1GBA1GBA2
SCHEMBL25676461 0.85 GBA1 (0.31) GBA1
SCHEMBL3100148 0.85 GBA1 (0.31) GBA1
SCHEMBL27640022 0.76 GBA1 (0.44) GBA1GBA2GAA
SCHEMBL10875388 0.76 ALOX15 (0.31)
SCHEMBL23966229 0.75 GNAO1 (0.37) GNAO1GNAI3GNAI1GBA1GBA2
SCHEMBL20954139 0.75 GNAO1 (0.41) GNAO1GNAI3GNAI1GBA1GBA2
SCHEMBL20954130 0.75 GNAO1 (0.41) GNAO1GNAI3GNAI1GBA1GBA2
Ammonia Solution, Strong SCHEMBL27989761 0.75 GNAO1 (0.39) GNAO1GNAI3GNAI1GBA1GBA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2204394-B1 PROCESS FOR PRODUCTION OF POLYESTER-CONTAINING FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION FOR USE IN THE PROCESS TOSOH CORP (JP) 2017-07-12 EP disclosed
US-8980965-B2 Method for producing polyester type flexible polyurethane foam, and catalyst composition to be used therefor TOSOH CORPORATION (JP) 2015-03-17 US disclosed
US-20100256249-A1 METHOD FOR PRODUCING POLYESTER TYPE FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION TO BE USED THEREFOR TOSOH CORPORATION (JP) 2010-10-07 US disclosed
EP-2204394-A1 PROCESS FOR PRODUCTION OF POLYESTER-CONTAINING FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION FOR USE IN THE PROCESS Tosoh Corporation (JP) 2010-07-07 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-20100256249-A1 METHOD FOR PRODUCING POLYESTER TYPE FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION TO BE USED THEREFOR OR51E2, CYP4F11, FFAR3 GNAO1 2915/4885GNAI3 3947/4885GNAI1 3506/4885

“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.