SCHEMBL4753486

SCHEMBL4753486

CCCCCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](CCCCSOOO)c4ccccc4C3(C)C)=C2N(C)C(=O)OC(C)(C)C)C(C)(C)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
PRMT1 Q99873 2/20 0.40
FOLR1 P15328 6/20 0.37
TLR2 O60603 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
S1PR2 O95136 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
ALPG P10696 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
XBP1 P17861 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
BLM P54132 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
SCHEMBL13100802 0.94 HTR1A (0.41) HTR1APRMT1FOLR1TLR2MEN1
SCHEMBL276744 0.93 HTR1A (0.46) HTR1APRMT1FOLR1PTPN1FOLH1
SCHEMBL13100804 0.92 PRMT1 (0.38) HTR1APRMT1FOLR1TLR2MEN1
SCHEMBL4753490 0.92 HTR1A (0.40) HTR1APRMT1FOLR1TLR2MEN1
SCHEMBL13100803 0.92 PRMT1 (0.42) HTR1APRMT1FOLR1TLR2MEN1
SCHEMBL13100832 0.91 PRMT1 (0.42) HTR1APRMT1FOLR1TLR2MEN1
SCHEMBL4753255 0.91 HTR1A (0.48) HTR1APRMT1FOLR1PTPN1APP
SCHEMBL13100815 0.90 HTR1A (0.34) HTR1APRMT1FOLR1TLR2PRMT5
SCHEMBL13100812 0.90 PRMT1 (0.47) HTR1APRMT1FOLR1TLR2PRMT5
SCHEMBL13100809 0.90 PRMT1 (0.42) HTR1APRMT1FOLR1TLR2PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8313885-B2 Lithographic printing plate precursor comprising bi-functional compounds AGFA GRAPHICS NV (BE) 2012-11-20 US disclosed
US-8178282-B2 Heat-sensitive imaging element AGFA GRAPHICS NV (BE) 2012-05-15 US disclosed
US-20100274023-A1 NOVEL INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF MESO-SUBSTITUTED CYANINE, MEROCYANINE AND OXONOLE DYES AGFA GRAPHICS NV (BE) 2010-10-28 US disclosed
US-20100040976-A1 HEAT-SENSITIVE IMAGING ELEMENT AGFA GRAPHICS NV (BE) 2010-02-18 US disclosed
US-20070105041-A1 Lithographic printing plate comprising bi-functional compounds AGFA-GEVAERT (BE) 2007-05-10 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 (2 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-20100040976-A1 HEAT-SENSITIVE IMAGING ELEMENT HEATR1, HEATR6, HSPA8 HTR1A 1158/4885PRMT1 4821/4885FOLR1 4305/4885
US-20100274023-A1 NOVEL INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF MESO-SUBSTITUTED CYANINE, MEROCYANINE AND OXONOLE DYES MB, MYADM, PYCR1 HTR1A 3200/4885PRMT1 418/4885FOLR1 1612/4885

“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.