SCHEMBL1709066

SCHEMBL1709066

Cc1ccc2c(c1)C(C)(C)C(/C=C/C=C1/N(Cc3ccc(C(C)C(=O)O)cc3)c3ccc(S(=O)(=O)O)cc3C1(C)C)=[N+]2Cc1ccc(C(C)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 4/20 0.42
PTPN1 P18031 1/20 0.41
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
S1PR2 O95136 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ALPG P10696 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
XBP1 P17861 1/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL1709073 0.90 MEN1 (0.42) PRMT1PTPN1MEN1NPC1USP2
SCHEMBL1709067 0.88 PTPN1 (0.39) PRMT1PTPN1DPP8DPP9MEN1
SCHEMBL5651416 0.83 PRMT1 (0.44) PRMT1PTPN1DPP8DPP9MEN1
SCHEMBL5651412 0.83 PRMT1 (0.44) PRMT1PTPN1DPP8DPP9MEN1
SCHEMBL13070158 0.83 PRMT1 (0.44) PRMT1PTPN1DPP8DPP9MEN1
SCHEMBL5653734 0.79 ADORA1 (0.41) PRMT1PTPN1DPP8DPP9MEN1
SCHEMBL5653731 0.79 ADORA1 (0.41) PRMT1PTPN1DPP8DPP9MEN1
SCHEMBL1709068 0.79 MEN1 (0.38) PRMT1PTPN1MEN1NPC1USP2
SCHEMBL1709079 0.78 PRMT1 (0.33) PRMT1MEN1NPC1USP2S1PR2
SCHEMBL13050799 0.78 PRMT1 (0.40) PRMT1PTPN1DPP8DPP9MEN1

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-20120088262-A1 CYANINE COMPOUNDS, CONJUGATES AND METHOD OF USE MILLIPORE CORPORATION (US) 2012-04-12 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-20120088262-A1 CYANINE COMPOUNDS, CONJUGATES AND METHOD OF USE CASP7, MCL1, CARS1 PRMT1 684/4885PTPN1 3862/4885DPP8 2596/4885

“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.