SCHEMBL4467918

SCHEMBL4467918

CCOC(=O)C1C2CCc3ccccc3C21.CCOC(=O)C1C2CCc3ccccc3C21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP11B2 P19099 2/20 0.44
HPGD P15428 1/20 0.43
FFAR1 O14842 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
PKM P14618 1/20 0.40
PIN1 Q13526 1/20 0.39

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
SCHEMBL1477579 1.00 CYP1A2 (0.48) CYP1A2TSHRCYP2C19CYP11B2HPGD
SCHEMBL23020647 1.00 CYP1A2 (0.48) CYP1A2TSHRCYP2C19CYP11B2HPGD
SCHEMBL13591320 1.00 CYP1A2 (0.48) CYP1A2TSHRCYP2C19CYP11B2HPGD
SCHEMBL12749374 1.00 CYP1A2 (0.48) CYP1A2TSHRCYP2C19CYP11B2HPGD
SCHEMBL1477925 0.92 HPGD (0.49) CYP1A2TSHRCYP2C19HPGDFFAR1
SCHEMBL12749381 0.92 HPGD (0.49) CYP1A2TSHRCYP2C19HPGDFFAR1
SCHEMBL12749371 0.86 TSHR (0.50) CYP1A2TSHRCYP2C19KDM4EMAPT
SCHEMBL1477578 0.86 TSHR (0.50) CYP1A2TSHRCYP2C19KDM4EMAPT
SCHEMBL1477389 0.86 TSHR (0.50) CYP1A2TSHRCYP2C19KDM4EMAPT
SCHEMBL22209851 0.86 TSHR (0.50) CYP1A2TSHRCYP2C19KDM4EMAPT

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-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US disclosed
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2006-07-27 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-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E CYP1A2 1896/4885TSHR 1578/4885CYP2C19 1753/4885

“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.