SCHEMBL6717708

SCHEMBL6717708

CC(NC1=C(C(=O)O)COCC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
CXCR2 P25025 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 5/20 0.39
ASPH Q12797 2/20 0.39
KDM8 Q8N371 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CYP2D6 P10635 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
RIOX2 Q8IUF8 1/20 0.39
EPHX1 P07099 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL28748164 0.89 KDM4C (0.40) KDM4CCXCR2KDM4EASPHKDM8
SCHEMBL15420776 0.84 ALOX5 (0.47) CXCR2TP53KDM4EGAAALDH1A1
SCHEMBL28511317 0.84 ALOX5 (0.47) CXCR2TP53KDM4EGAAALDH1A1
SCHEMBL18398628 0.84 ALOX5 (0.47) CXCR2TP53KDM4EGAAALDH1A1
SCHEMBL1044302 0.80 CYP2D6 (0.49) KDM4CKDM4EASPHKDM8CYP2D6
SCHEMBL6719047 0.80 CYP2D6 (0.46) KDM4CKDM4EASPHKDM8CYP2D6
SCHEMBL6725960 0.80 CYP2D6 (0.49) KDM4CKDM4EASPHKDM8CYP2D6
SCHEMBL17339199 0.80 CYP2D6 (0.46) KDM4CKDM4EASPHKDM8CYP2D6
SCHEMBL6353089 0.76 ALOX5 (0.47) CXCR2TP53KDM4ECYP1A2CYP3A4
SCHEMBL15420512 0.76 ALOX5 (0.47) CXCR2TP53KDM4ECYP1A2CYP3A4

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-6835841-B2 Asymmetric catalytic hydrogenation process for preparation of chiral cyclic β-aminoesters BRISTOL-MYERS SQUIBB COMPANY 2004-12-28 US disclosed
US-20040082795-A1 Asymmetric catalytic hydrogenation process for preparation of chiral cyclic beta-aminoesters BRISTOL-MYERS SQUIBB COMPANY 2004-04-29 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-20040082795-A1 Asymmetric catalytic hydrogenation process for preparation of chiral cyclic beta-aminoesters ADAM17, ADAM9, ADAM12 KDM4C 2943/4885CXCR2 1994/4885TP53 2249/4885

“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.