SCHEMBL7253127

SCHEMBL7253127

CC1(C)CCC(Cc2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)C1.Fc1cccc2c(-c3ccccc3)c3c(F)ccc(F)c3c(-c3ccccc3)c12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL5599137 0.87 CCR5 (0.31)
SCHEMBL5599195 0.69 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2711031 0.67 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2725528 0.67 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12086030 0.67 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12086061 0.67 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12086089 0.66 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2710186 0.66 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2726055 0.65 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2711599 0.64 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19

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-20030158419-A1 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-21 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-20030158419-A1 Method for producing biaryl compound B2M, BMI1, CYP2W1 CYP1A2 18/4885CYP3A4 101/4885CYP2C9 8/4885

“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.