SCHEMBL3104058

SCHEMBL3104058

CCCCN(CCCC)C(C)CCO

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 1/20 0.36
LMNA P02545 3/20 0.35
TSHR P16473 3/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
CA1 P00915 2/20 0.31
ALDH2 P05091 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL3106044 0.89 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
SCHEMBL3100433 0.86 FDPS (0.38) TSHR
SCHEMBL24114955 0.83 OPRM1 (0.35) ALDH1A1OPRM1LMNATSHRMMP1
SCHEMBL21389646 0.83 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2OPRM1LMNATSHR
SCHEMBL26090526 0.82 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
Bromide SCHEMBL29008999 0.81 OPRM1 (0.33) OPRM1MMP1MMP2MMP3MMP8
SCHEMBL2454531 0.81 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
Hydrochloric Acid SCHEMBL14889209 0.81 DNM1 (0.33) OPRM1MMP1MMP2MMP3MMP8
Water SCHEMBL27775960 0.81 OPRM1 (0.33) OPRM1TSHRMMP1MMP2MMP3
SCHEMBL11449797 0.81 LMNA (0.46) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10

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 ALDH1A1 2369/4885SMN1; SMN2 2713/4885OPRM1 392/4885

“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.