SCHEMBL2891473

SCHEMBL2891473

CCCCOc1cc(C=C(OC)C(=O)OC)ccc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
FDPS P14324 3/20 0.37
PDE4B Q07343 1/20 0.37
AKR1C3 P42330 1/20 0.36
XDH P47989 1/20 0.36
CNR2 P34972 2/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ESR1 P03372 2/20 0.35
TUBB1 Q9H4B7 2/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 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
SCHEMBL2891472 1.00 KDM4E (0.41) KDM4EFDPSPDE4BAKR1C3XDH
SCHEMBL3632799 0.90 KDM4E (0.43) KDM4EFDPSPDE4BAKR1C3XDH
SCHEMBL3632523 0.90 KDM4E (0.43) KDM4EFDPSPDE4BAKR1C3XDH
SCHEMBL3632522 0.90 KDM4E (0.43) KDM4EFDPSPDE4BAKR1C3XDH
SCHEMBL2891475 0.88 TUBB4A (0.41) KDM4EFDPSPDE4BAKR1C3XDH
SCHEMBL4220330 0.81 ALOX5 (0.40) KDM4EFDPSPDE4BAKR1C3XDH
SCHEMBL4220323 0.81 ALOX5 (0.40) KDM4EFDPSPDE4BAKR1C3XDH
SCHEMBL4220328 0.81 ALOX5 (0.40) KDM4EFDPSPDE4BAKR1C3XDH
SCHEMBL68303 0.80 KDM4E (0.42) KDM4EAKR1C3XDHKMT2AESR1
SCHEMBL4215918 0.80 KDM4E (0.42) KDM4EAKR1C3XDHKMT2AESR1

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
US-8357819-B2 Method for the synthesis of (Z)-3-[2-butoxy-3′-(3-heptyl-1-methyl-ureido)-biphenyl-4-yl]-2-methoxy-acrylic acid GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-01-22 US disclosed
US-20100286430-A1 METHOD FOR THE SYNTHESIS OF (Z)-3-[2-BUTOXY-3'-(3-HEPTYL-1-METHYL-UREIDO)-BIPHENYL-4-YL]-2-METHOXY-ACRYLIC ACID GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-11-11 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-20100286430-A1 METHOD FOR THE SYNTHESIS OF (Z)-3-[2-BUTOXY-3'-(3-HEPTYL-1-METHYL-UREIDO)-BIPHENYL-4-YL]-2-METHOXY-ACRYLIC ACID AZI2, UGT1A6, UGT1A3 KDM4E 253/4885FDPS 702/4885PDE4B 4032/4885

“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.