SCHEMBL17449159

SCHEMBL17449159

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ANPEP P15144 3/20 0.30
LAP3 P28838 2/20 0.30
ERAP1 Q9NZ08 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
SCHEMBL17449157 0.88
SCHEMBL1001958 0.76 MAPT (0.38) MAPTTSHRALDH1A1
SCHEMBL19021023 0.75 MAPT (0.33) MAPTTSHR
SCHEMBL13995952 0.74 FDPS (0.36) TSHRALDH1A1
Water SCHEMBL28633420 0.74 MAPT (0.36) MAPTTSHRALDH1A1
Ammonia Solution, Strong SCHEMBL29109690 0.74 MAPT (0.36) MAPTTSHRALDH1A1
SCHEMBL79152 0.74 MAPT (0.36) MAPTTSHRALDH1A1
SCHEMBL15203100 0.74 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL13995961 0.74 FDPS (0.36) TSHRALDH1A1
SCHEMBL13995870 0.74 ALDH1A1 (0.36) TSHRALDH1A1

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 MAPT 3098/4885TSHR 2600/4885ALDH1A1 4568/4885
US-20160016886-A1 NONIONIC SURFACTANT COMPOSITIONS SPNS2, SGMS2, SGMS1 MAPT 3415/4885TSHR 2643/4885ALDH1A1 4641/4885

“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.