SCHEMBL4753276

SCHEMBL4753276

CCN(C(=O)OC(C)(C)C)C1=C(/C=C/C2=[N+](CCCCSOOO)c3ccc(Cl)cc3C2(C)C)CC/C1=C\C=C1\N(CCCCS(=O)(=O)O)c2ccc(Cl)cc2C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
PRMT1 Q99873 3/20 0.40
HTR1A P08908 2/20 0.37
FOLR1 P15328 6/20 0.36
FOLH1 Q04609 4/20 0.36
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
OPRK1 P41145 2/20 0.35
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADRB1 P08588 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CNR1 P21554 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
SCHEMBL25862037 0.94 PTPN1 (0.47) PTPN1PRMT1HTR1AFOLR1FOLH1
SCHEMBL4753277 0.91 HTR1A (0.45) PTPN1PRMT1HTR1AFOLR1FOLH1
SCHEMBL13100809 0.89 PRMT1 (0.42) PTPN1PRMT1HTR1AFOLR1FOLH1
SCHEMBL837889 0.89 PTPN1 (0.49) PTPN1PRMT1HTR1AFOLR1FOLH1
SCHEMBL4753329 0.86 PTPN1 (0.49) PTPN1PRMT1HTR1AFOLR1FOLH1
SCHEMBL13100810 0.86 PRMT1 (0.43) PTPN1PRMT1HTR1AFOLR1FOLH1
SCHEMBL4753352 0.86 PTPN1 (0.45) PTPN1PRMT1HTR1AFOLR1FOLH1
SCHEMBL4753262 0.85 HTR1A (0.44) PTPN1PRMT1HTR1AFOLR1FOLH1
SCHEMBL25862028 0.85 PRMT1 (0.48) PTPN1PRMT1HTR1AFOLR1FOLH1
SCHEMBL4753430 0.85 HTR1A (0.46) PTPN1PRMT1HTR1AFOLR1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178282-B2 Heat-sensitive imaging element AGFA GRAPHICS NV (BE) 2012-05-15 US disclosed
US-8148042-B2 Heat-sensitive imaging element AGFA GRAPHICS NV (BE) 2012-04-03 US disclosed
US-20100221662-A1 HEAT-SENSITIVE IMAGING ELEMENT AGFA GRAPHICS NV (BE) 2010-09-02 US disclosed
US-20100040976-A1 HEAT-SENSITIVE IMAGING ELEMENT AGFA GRAPHICS NV (BE) 2010-02-18 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 PTPN1 4269/4885PRMT1 4821/4885HTR1A 1158/4885
US-20100221662-A1 HEAT-SENSITIVE IMAGING ELEMENT HEATR1, HEATR6, HSF1 PTPN1 3809/4885PRMT1 2381/4885HTR1A 1365/4885

“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.