SCHEMBL17541817

SCHEMBL17541817

CCCCCCNCCC(N)CCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
RRM1 P23921 1/20 0.49
DPP7 Q9UHL4 1/20 0.46
RELA Q04206 4/20 0.42
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
DNM1 Q05193 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA12 O43570 1/20 0.39
F13A1 P00488 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39

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
SCHEMBL11269932 1.00 ALDH1A1 (0.50) ALDH1A1TSHRRRM1DPP7RELA
SCHEMBL6429352 0.92 ALDH1A1 (0.50) ALDH1A1TSHRRRM1DPP7RELA
SCHEMBL11830992 0.92 ALDH1A1 (0.50) ALDH1A1TSHRRRM1DPP7RELA
SCHEMBL17541814 0.91 ALDH1A1 (0.48) ALDH1A1TSHRRRM1RELAGNAI3
SCHEMBL22401552 0.91 ALDH1A1 (0.48) ALDH1A1TSHRRRM1RELAGNAI3
SCHEMBL16247033 0.91 ALDH1A1 (0.48) ALDH1A1TSHRRRM1RELAGNAI3
SCHEMBL31563619 0.88 ALDH1A1 (0.54) ALDH1A1TSHRGNAI3GNAO1GNAI1
SCHEMBL11794411 0.88 ALDH1A1 (0.54) ALDH1A1TSHRGNAI3GNAO1GNAI1
SCHEMBL2123615 0.87 RELA (0.45) ALDH1A1TSHRRELAGNAI3GNAO1
SCHEMBL11826637 0.86 ALDH1A1 (0.52) ALDH1A1TSHRRRM1DPP7RELA

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-20170298002-A1 METHOD OF PRODUCING N-ALKYL POLYAMINES CURZA GLOBAL, LLC 2017-10-19 US disclosed
EP-3201170-A1 METHOD OF PRODUCING N-ALKYL POLYAMINES Curza Global LLC (US) 2017-08-09 EP disclosed
WO-2016033115-A1 METHOD OF PRODUCING N-ALKYL POLYAMINES CURZA GLOBAL, LLC (US) 2016-03-03 WO 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-20170298002-A1 METHOD OF PRODUCING N-ALKYL POLYAMINES SRM, PNMT, SMS ALDH1A1 127/4885TSHR 2159/4885RRM1 1146/4885

“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.