SCHEMBL3099250

SCHEMBL3099250

CCCCCN1CCNC(C)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
GNAO1 P09471 8/20 0.45
GNAI3 P08754 7/20 0.45
GNAI1 P63096 7/20 0.45
BIRC2 Q13490 1/20 0.44
GUSB P08236 2/20 0.43
BCHE P06276 2/20 0.41

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
SCHEMBL3100830 0.98 EBP (0.50) EBPSIGMAR1GNAO1GNAI3GNAI1
SCHEMBL4274108 0.98 EBP (0.50) EBPSIGMAR1GNAO1GNAI3GNAI1
SCHEMBL3105772 0.94 BIRC2 (0.45) EBPSIGMAR1GNAO1GNAI3GNAI1
SCHEMBL29509310 0.94 BIRC2 (0.45) EBPSIGMAR1GNAO1GNAI3GNAI1
SCHEMBL17591405 0.86 BIRC2 (0.47) BIRC2
SCHEMBL3110486 0.86 BIRC2 (0.47) BIRC2
SCHEMBL13772197 0.86 BIRC2 (0.47) BIRC2
SCHEMBL3093271 0.81 GNAO1 (0.42) EBPSIGMAR1GNAO1GNAI3GNAI1
SCHEMBL4089011 0.81 BIRC2 (0.44) SIGMAR1BIRC2
SCHEMBL15108633 0.80 BIRC2 (0.41) SIGMAR1BIRC2

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 EBP 1157/4885SIGMAR1 299/4885GNAO1 2915/4885

“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.