SCHEMBL6288770

SCHEMBL6288770

[CH2]c1ccccc1Cc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CTRC Q99895 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRA2A P08913 4/20 0.46
ADRA2B P18089 4/20 0.46
ADRA2C P18825 4/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1B P35368 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.45
HTR1A P08908 1/20 0.45

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
SCHEMBL599659 0.87 CYP2C19 (0.62) CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL29490353 0.87 CYP2C19 (0.62) CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL11328087 0.84 CYP2C19 (0.60) CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6
Potassium SCHEMBL29867531 0.84 CYP2C19 (0.60) CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6
Hydrogen Sulfide SCHEMBL27479604 0.84 CYP2C19 (0.60) CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL11339937 0.84 CYP2C19 (0.60) CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL659517 0.84 CYP2C19 (0.60) CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL4667060 0.84 CYP2C19 (0.60) CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6
Hydrogen Sulfide SCHEMBL11348128 0.84 CYP2C19 (0.60) CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL659516 0.84 CYP2C19 (0.60) CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6

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 CYP2C19 1428/4885CYP1A2 897/4885CYP2C9 1113/4885

“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.