SCHEMBL17449154

SCHEMBL17449154

CC(C)CC(C)N(C)CCN(C)C(C)CC(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
MAOB P27338 1/20 0.32
SIGMAR1 Q99720 2/20 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
SCHEMBL14580748 0.92 CA12 (0.36)
SCHEMBL23349277 0.86
SCHEMBL12039791 0.86 ALDH1A1 (0.34) ALDH1A1
SCHEMBL20756047 0.84 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1
SCHEMBL13412943 0.84 MEN1 (0.40) TSHR
SCHEMBL20004943 0.82 DNM1 (0.33) ALDH1A1SIGMAR1
SCHEMBL12039760 0.79 PIK3CD (0.32) ALDH1A1TSHRMAPK1MAOB
SCHEMBL29951553 0.78 ADH1B (0.30)
SCHEMBL31616903 0.78 TSHR (0.33) TSHRMAPK1MAOB
SCHEMBL31616907 0.78 TSHR (0.33) TSHRMAPK1MAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158610-A1 NONIONIC SURFACTANT COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC (US) 2017-06-08 US disclosed
US-9382192-B2 Nonionic surfactant compositions DOW GLOBAL TECHNOLOGIES LLC (US) 2016-07-05 US disclosed
US-20160016886-A1 NONIONIC SURFACTANT COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC 2016-01-21 US 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 (2 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-20170158610-A1 NONIONIC SURFACTANT COMPOSITIONS SPNS2, SGMS2, SGMS1 ALDH1A1 4568/4885TSHR 2600/4885MAPK1 4081/4885
US-20160016886-A1 NONIONIC SURFACTANT COMPOSITIONS SPNS2, SGMS2, SGMS1 ALDH1A1 4641/4885TSHR 2643/4885MAPK1 4356/4885

“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.