SCHEMBL3100484

SCHEMBL3100484

CCN(CC)C(C)CCCO

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
FDPS P14324 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA4 P43681 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
Bromide SCHEMBL14778626 0.98 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
Hydrochloric Acid SCHEMBL14778211 0.98 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
Iodide SCHEMBL14777715 0.98 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL8607 0.84 FDPS (0.33) ALDH1A1TSHRFDPS
SCHEMBL2565897 0.84 OPRM1 (0.33) ALDH1A1LMNAHSD17B10FDPSCHRNB2
SCHEMBL2565496 0.84 FDPS (0.31) ALDH1A1LMNAHSD17B10FDPSCHRNB2
Bromide SCHEMBL14778203 0.82 FDPS (0.32) TSHRFDPS
Iodide SCHEMBL14778004 0.82 FDPS (0.32) TSHRFDPS
SCHEMBL3106023 0.81 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL9949181 0.81 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1

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 9 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
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
CN-1693439-A Alkali cleaner SANYO CHEMICAL IND LTD (JP) 2005-11-09 CN disclosed
US-20050245422-A1 Alkali cleaner SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2005-11-03 US disclosed
EP-0166599-A2 Fluorochemical allophanate compositions and fibrous substrates treated therewith MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-01-02 EP disclosed
EP-0160402-A2 Fluorochemicals and fibrous substrates treated therewith MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-11-06 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 2713/4885LMNA 3374/4885

“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.