SCHEMBL18848232

SCHEMBL18848232

C[C@@H](OC(=O)Cc1ccccc1)OC(=O)NCCNCCNCCNC(=O)O[C@@H](C)OC(=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
KLK7 P49862 6/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PAM P19021 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
KMT2A Q03164 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
SCHEMBL18848357 1.00 TSHR (0.56) TSHRKLK7SLC6A2SLC6A4SLC6A3
SCHEMBL18848282 1.00 TSHR (0.56) TSHRKLK7SLC6A2SLC6A4SLC6A3
SCHEMBL18848346 0.94 TSHR (0.50) TSHRKLK7SLC6A2SLC6A4SLC6A3
SCHEMBL18848284 0.94 TSHR (0.50) TSHRKLK7SLC6A2SLC6A4SLC6A3
SCHEMBL18848247 0.94 TSHR (0.50) TSHRKLK7SLC6A2SLC6A4SLC6A3
SCHEMBL18848274 0.80 TSHR (0.47) TSHRALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL18848251 0.80 TSHR (0.47) TSHRALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL18848364 0.80 TSHR (0.47) TSHRALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL18848272 0.77 ALDH1A1 (0.53) TSHRSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL18848358 0.76 CHRNB2 (0.32) TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738620-B2 Trientine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-08-22 US disclosed
US-20170129868-A1 TRIENTINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-05-11 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 (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-20170129868-A1 TRIENTINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE SLC10A1, ABCB11, SLC10A2 TSHR 2355/4885KLK7 3620/4885SLC6A2 320/4885

“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.