SCHEMBL6288703

SCHEMBL6288703

COC(=O)c1ccc2c(C=O)c(OC)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.55
LCK P06239 1/20 0.55
MAPT P10636 5/20 0.50
CYP3A4 P08684 2/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.45
PTPN11 Q06124 1/20 0.43
CYP2C9 P11712 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL18904700 0.87 ERN1 (0.56) ERN1LCKALDH1A1PTPN11CYP2C9
SCHEMBL30067115 0.87 ALDH1A1 (0.50) ERN1MAPTCYP3A4KMT2AALDH1A1
SCHEMBL6288683 0.84 ERN1 (0.49) ERN1LCKMAPTKMT2AALDH1A1
SCHEMBL11519347 0.84 ERN1 (0.74) ERN1LCKMAPTKMT2AALDH1A1
SCHEMBL4948601 0.79 LCK (0.57) LCKMAPTCYP3A4KMT2AALDH1A1
SCHEMBL18402724 0.79 LCK (0.57) LCKMAPTCYP3A4KMT2APTPN11
SCHEMBL8989547 0.79 ERN1 (0.46) ERN1MAPTALDH1A1CYP2C9ATM
SCHEMBL30067092 0.79 ERN1 (0.46) ERN1MAPTALDH1A1CYP2C9ATM
SCHEMBL19798736 0.77 ERN1 (0.43) ERN1LCKALDH1A1PTPN11
SCHEMBL14047249 0.77 ACHE (0.46) ERN1MAPTCYP3A4KMT2AALDH1A1

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-6849761-B2 Substituted naphthoic acid derivatives useful in the treatment of insulin resistance and hyperglycemia WYETH (US) 2005-02-01 US disclosed
US-20040127570-A1 Substituted naphthoic acid derivatives useful in the treatment of insulin resistance and hyperglycemia WYETH (US) 2004-07-01 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-20040127570-A1 Substituted naphthoic acid derivatives useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, INSRR ERN1 631/4885LCK 4362/4885MAPT 4803/4885

“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.