SCHEMBL1709075

SCHEMBL1709075

CC1(C)C(/C=C/C=C/C=C2/N(Cc3ccc(CC(=O)O)cc3)c3ccccc3C2(C)C)=[N+](Cc2ccc(CC(=O)O)cc2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 5/20 0.53
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
USP2 O75604 1/20 0.52
S1PR2 O95136 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
ALPG P10696 1/20 0.52
THRB P10828 1/20 0.52
PKM P14618 1/20 0.52
XBP1 P17861 1/20 0.52
CRHBP P24387 1/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
CRHR2 Q13324 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL1669108 0.88 MAPT (0.56) PRMT1MEN1NPC1USP2S1PR2
SCHEMBL1709077 0.84 MAPT (0.61) PRMT1MEN1NPC1USP2S1PR2
SCHEMBL13070158 0.83 PRMT1 (0.44) PRMT1MEN1NPC1USP2S1PR2
SCHEMBL12200153 0.80 PRMT1 (0.63) PRMT1MEN1NPC1USP2S1PR2
SCHEMBL14227701 0.80 PRMT1 (0.63) PRMT1MEN1NPC1USP2S1PR2
SCHEMBL12602395 0.80 PRMT1 (0.53) PRMT1MEN1NPC1USP2S1PR2
SCHEMBL1709073 0.79 MEN1 (0.42) PRMT1MEN1NPC1USP2S1PR2
SCHEMBL17773715 0.79 MAPT (0.61) PRMT1MEN1NPC1USP2S1PR2
SCHEMBL31341364 0.78 MAPT (0.50) PRMT1MEN1NPC1USP2S1PR2
SCHEMBL12085785 0.78 PRMT1 (0.68) PRMT1MEN1NPC1USP2S1PR2

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
WO-2012048063-A2 CYANINE COMPOUNDS, CONJUGATES AND METHOD OF USE EMD MILLIPORE CORPORATION (US) 2012-04-12 WO disclosed
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 684/4885MEN1 756/4885NPC1 423/4885

“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.