SCHEMBL4952307

SCHEMBL4952307

O=C(I)c1cccc(Cc2cccc(C(=O)I)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
FOLH1 Q04609 1/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
PTPN1 P18031 1/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
LMNA P02545 1/20 0.39
SLC7A5 Q01650 1/20 0.39

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
SCHEMBL22624873 0.83 CNR2 (0.51) FOLH1LOXL2CYP4F2CYP4A11MRGPRX4
SCHEMBL813336 0.81 L3MBTL1 (0.52) CA1CA2CA9
SCHEMBL30791058 0.80 FOLH1 (0.70) PRSS1PRSS2PRSS3FOLH1CA1
SCHEMBL4951090 0.80 PRSS1 (0.50) PRSS1PRSS2PRSS3FOLH1CA1
SCHEMBL70351 0.80 FOLH1 (0.70) PRSS1PRSS2PRSS3FOLH1CA1
SCHEMBL17672270 0.78 PLA2G2A (0.59) PRSS1PRSS2PRSS3FOLH1CA1
SCHEMBL3335985 0.78 LMNA (0.59) PRSS1PRSS2PRSS3FOLH1MRGPRX4
SCHEMBL4950108 0.78 ALDH1A1 (0.48) PRSS1PRSS2PRSS3FOLH1CA1
SCHEMBL23417359 0.77 KMT2A (0.46) FOLH1LOXL2CYP4F2CYP4A11PTPN1
SCHEMBL1926951 0.77 FOLH1 (0.66) PRSS1PRSS2PRSS3FOLH1CA1

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-20080146768-A1 PROCESSES FOR PREPARING POLYMERS USING ALPHA,OMEGA-DIFUNCTIONAL ALDARAMIDES E. I. DU PONT DE NEMOURS AND COMPANY 2008-06-19 US disclosed
EP-1858955-A1 PROCESSES USING ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES AS MONOMERS AND CROSSLINKERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-11-28 EP disclosed
US-20060264672-A1 Processes using alpha, omega-difunctional aldaramides as monomers and crosslinkers E. I. DU PONT DE NEMOURS AND COMPANY 2006-11-23 US disclosed
WO-2006091901-A1 PROCESSES USING ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES AS MONOMERS AND CROSSLINKERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-08-31 WO 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-20060264672-A1 Processes using alpha, omega-difunctional aldaramides as monomers and crosslinkers ALOX5, GSTO1, FASN PRSS1 3666/4885PRSS2 3787/4885PRSS3 3482/4885

“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.