SCHEMBL3100149

SCHEMBL3100149

CCCCN(CCCC)CC(C)CCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.34
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
OPRM1 P35372 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TRPA1 O75762 1/20 0.32
ALOX15 P16050 1/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL3090148 0.87 TSHR (0.37) ALDH1A1TSHRTRPA1ALOX15
SCHEMBL4610938 0.83 ALDH1A1 (0.36) ALDH1A1TSHRCA12CA1CA9
SCHEMBL4613747 0.83 ALDH1A1 (0.36) ALDH1A1TSHRCA12CA1CA9
SCHEMBL3099190 0.83 TSHR (0.42) KDM4EMAPK1TDP1ALDH1A1TSHR
SCHEMBL9407489 0.82 KDM4E (0.37) KDM4EMAPK1TDP1ALDH1A1TSHR
SCHEMBL2139700 0.79 ALDH1A1 (0.41) ALDH1A1TSHRTRPA1ALOX15
SCHEMBL8494696 0.79 PLA2G1B (0.34) KDM4EMAPK1TDP1PLA2G1BPLA2G2A
SCHEMBL25729509 0.79 PLA2G1B (0.47) PLA2G1BPLA2G2AOPRM1ACE2LMNA
SCHEMBL23266329 0.79 LMNA (0.43) ALDH1A1TSHRPLA2G1BPLA2G2AACE2
SCHEMBL10708070 0.78 TSHR (0.42) KDM4EMAPK1TDP1ALDH1A1TSHR

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
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

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 KDM4E 2947/4885MAPK1 2691/4885TDP1 3131/4885

“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.