SCHEMBL15866716

SCHEMBL15866716

CNCc1ccccc1B(C)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.40
SLC6A2 P23975 7/20 0.40
SLC6A3 Q01959 6/20 0.40
LTA4H P09960 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HTR2A P28223 3/20 0.38
IFNAR1 P17181 1/20 0.38
MCL1 Q07820 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL30949223 0.88 LIPG (0.50) SLC6A4SLC6A2SLC6A3LTA4HLIPG
SCHEMBL30949224 0.88 LIPG (0.50) SLC6A4SLC6A2SLC6A3LTA4HLIPG
SCHEMBL902105 0.88 LIPG (0.50) SLC6A4SLC6A2SLC6A3LTA4HLIPG
Anthracene SCHEMBL1506819 0.79 LIPG (0.43) SLC6A4SLC6A2SLC6A3LTA4HLIPG
SCHEMBL31265560 0.75 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3LTA4HKDM4E
SCHEMBL8016874 0.75 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3LTA4HKDM4E
SCHEMBL13287109 0.73 LIPG (0.48) SLC6A4LIPGKDM4EPKM
SCHEMBL668320 0.72 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3LTA4HLIPG
SCHEMBL26082831 0.72 CA12 (0.40) LIPGMAPTALDH1A1MEN1KMT2A
SCHEMBL15698106 0.72 RIPK1 (0.42) LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 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-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 SLC6A4 4761/4885SLC6A2 4846/4885SLC6A3 4825/4885

“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.