SCHEMBL3106147

SCHEMBL3106147

CCCN(CCC)CC(C)C(C)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KCNA5 P22460 1/20 0.31
CYP51A1 Q16850 1/20 0.30
TSHR P16473 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
SCHEMBL3100774 0.86 KDM4E (0.40) ALDH1A1CA12CA9
SCHEMBL8780328 0.80 ALDH1A1 (0.33) ALDH1A1RAB9ACA12CA2CA9
SCHEMBL3104259 0.79 MAPT (0.34) ALDH1A1TSHR
SCHEMBL1010512 0.79 TSHR (0.40) ALDH1A1RAB9ACA12CA2CA9
SCHEMBL23240041 0.77
SCHEMBL5430728 0.76 ALDH1A1 (0.42) ALDH1A1RAB9ACA12CA2CA9
SCHEMBL18427267 0.75 TSHR (0.36) ALDH1A1RAB9ACA12CA2CA9
SCHEMBL19774701 0.75 TSHR (0.36) ALDH1A1RAB9ACA12CA2CA9
SCHEMBL98701 0.74 TSHR (0.40) ALDH1A1RAB9ACA12CA2CA9
SCHEMBL1686727 0.73 CYP1A2 (0.48) CA12CA2CA9

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 2369/4885RAB9A 4038/4885CA12 3593/4885

“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.