SCHEMBL1709076

SCHEMBL1709076

CC1(C)C(/C=C/C=C/C=C2\Oc3ccccc3N2Cc2ccc(CC(=O)O)cc2)=[N+](Cc2ccc(CC(=O)O)cc2)c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.35
PRMT1 Q99873 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
OPRK1 P41145 2/20 0.32
OPRM1 P35372 1/20 0.32
ADRB2 P07550 1/20 0.32
HTR1A P08908 1/20 0.32
HRH2 P25021 6/20 0.32
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
ADRB1 P08588 1/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL1709079 0.91 PRMT1 (0.33) PRMT1MEN1KMT2AMAPTBLM
SCHEMBL1709074 0.89 FOLH1 (0.32) FOLH1CHRM1CHRM3CHRM2CHRM4
SCHEMBL13070158 0.83 PRMT1 (0.44) FOLH1PRMT1MEN1KMT2ACHRM1
SCHEMBL1709078 0.81
SCHEMBL13050797 0.77 PRMT1 (0.38) FOLH1PRMT1CHRM1CHRM3CHRM2
SCHEMBL1709073 0.76 MEN1 (0.42) FOLH1PRMT1MEN1KMT2ACHRM1
SCHEMBL5651416 0.76 PRMT1 (0.44) FOLH1PRMT1MEN1KMT2ACHRM1
SCHEMBL5651412 0.76 PRMT1 (0.44) FOLH1PRMT1MEN1KMT2ACHRM1
SCHEMBL1709075 0.75 PRMT1 (0.53) FOLH1PRMT1MEN1KMT2ACHRM1
SCHEMBL13050799 0.74 PRMT1 (0.40) FOLH1PRMT1MEN1KMT2ACHRM1

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 FOLH1 1512/4885PRMT1 684/4885MEN1 756/4885

“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.