SCHEMBL4136434

SCHEMBL4136434

Cc1cccc(C)c1Nc1ccccc1P(C(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.43
RAPGEF4 Q8WZA2 2/20 0.42
CXCL8 P10145 1/20 0.39
DHODH Q02127 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.33
HTR1D P28221 1/20 0.33

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
SCHEMBL2850176 0.83 ALDH1A1 (0.31) ALDH1A1KMT2AALOX12RECQL
SCHEMBL1921293 0.77 RAPGEF4 (0.57) PTGS2RAPGEF4CXCL8DHODHALDH1A1
SCHEMBL12257142 0.77 ALDH1A1 (0.46) PTGS2ALDH1A1KMT2AMAPTALOX12
SCHEMBL3947196 0.76 PTGS2 (0.46) PTGS2RAPGEF4CXCL8DHODHALDH1A1
SCHEMBL4800221 0.75 RAPGEF4 (0.55) PTGS2RAPGEF4ALDH1A1KMT2AMAPT
SCHEMBL7561832 0.75 TSHR (0.43) ALDH1A1
SCHEMBL17529903 0.71 TRPA1 (0.39) RAPGEF4ALDH1A1MAPT
SCHEMBL30636793 0.71 SCN4A (0.39) ALDH1A1
SCHEMBL4124328 0.71 MAPT (0.49) ALDH1A1KMT2AMAPTHTT
SCHEMBL23193120 0.70 PTGS2 (0.50) PTGS2RAPGEF4CXCL8DHODHALDH1A1

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-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NATIONAL SUN YAT-SEN UNIVERSITY 2009-06-25 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-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NCOR2, OXGR1, NCOR1 PTGS2 718/4885RAPGEF4 3059/4885CXCL8 3817/4885

“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.