SCHEMBL3218873

SCHEMBL3218873

COC(=O)CC1c2ccccc2C(=O)N(C)c2cc(C(=O)O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
EGFR P00533 1/20 0.40
DRD2 P14416 4/20 0.39
PABPC1 P11940 1/20 0.39
APOBEC3A P31941 1/20 0.39
EIF4H Q15056 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL5879566 0.75 ITGB3 (0.54) POLB
SCHEMBL8377645 0.74 EGFR (0.40) NR1H2NR1H3EGFRKDM4EKMT2A
SCHEMBL1675990 0.74 EGFR (0.56) EGFRPOLBKMT2ACYP1A2
SCHEMBL3223094 0.73 ITGB3 (0.42)
SCHEMBL5879694 0.73 EGFR (0.41) EGFRPOLBALDH1A1
SCHEMBL1388649 0.70 EGFR (0.60) EGFRALDH1A1KMT2AMEN1
SCHEMBL8379506 0.70 ADRA2A (0.38) EGFRPOLBALDH1A1
SCHEMBL13493012 0.69 ALDH1A1 (0.43) NR1H2NR1H3KDM4EALDH1A1KMT2A
SCHEMBL8174003 0.68 ALDH1A1 (0.47) EGFRKDM4EPOLBTDP1ALDH1A1
SCHEMBL3227107 0.68 NR1H2 (0.52) NR1H2NR1H3DRD2POLBALDH1A1

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-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands GENESTE HERVE 2010-02-25 US disclosed
US-20040077638-A1 Novel integrin receptor antagonists BASF AKTIENGESELLCHAFT (DE) 2004-04-22 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-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands ITGB3, ITGAL, ITGB4 NR1H2 1943/4885NR1H3 1578/4885EGFR 256/4885
US-20040077638-A1 Novel integrin receptor antagonists ITGB3, ITGAV, ITGA2B NR1H2 2320/4885NR1H3 2173/4885EGFR 913/4885

“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.