SCHEMBL3094801

SCHEMBL3094801

CCC(C)CCN1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
CXCR4 P61073 2/20 0.39
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
SIGMAR1 Q99720 4/20 0.34
RAD52 P43351 1/20 0.34
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
GNAI3 P08754 3/20 0.33
GNAO1 P09471 3/20 0.33
GNAI1 P63096 3/20 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
SCHEMBL20333414 0.88 CXCR4 (0.46) SMN1; SMN2POLBCXCR4CHRM5CHRM3
SCHEMBL26941283 0.86 CXCR4 (0.47) SMN1; SMN2POLBCXCR4CHRM5CHRM3
SCHEMBL22430415 0.86 SMN1; SMN2 (0.39) SMN1; SMN2POLBCXCR4CHRM5CHRM3
SCHEMBL22430355 0.82 SIGMAR1 (0.41) SMN1; SMN2POLBCXCR4CHRM5CHRM3
SCHEMBL10041869 0.80 CARM1 (0.39) SMN1; SMN2ALDH1A1
SCHEMBL104625 0.80 SMN1; SMN2 (0.45) SMN1; SMN2POLBCXCR4CHRM5CHRM3
SCHEMBL4715980 0.79 LMNA (0.46) SMN1; SMN2POLBCXCR4CHRM5CHRM3
Hydrochloric Acid SCHEMBL25326103 0.78 SMN1; SMN2 (0.43) SMN1; SMN2POLBCXCR4CHRM5CHRM3
SCHEMBL22320733 0.78 SMN1; SMN2 (0.46) SMN1; SMN2POLBCXCR4CHRM5CHRM3
SCHEMBL18708827 0.78 SIGMAR1 (0.33) ALDH1A1SIGMAR1

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 7 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
CN-101835820-B Process for production of polyester-containing flexible polyurethane foam, and catalyst composition for use in the process TOSOH CORP 2012-11-21 CN 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
CN-101835820-A Process for production of polyester-containing flexible polyurethane foam, and catalyst composition for use in the process TOSOH CORP 2010-09-15 CN 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
EP-0049683-A2 Imidazo-rifamycines, process for their preparation, pharmaceutical preparations containing them and their use CIBA-GEIGY AG (CH) 1982-04-14 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 SMN1; SMN2 2713/4885POLB 1316/4885CXCR4 998/4885

“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.