SCHEMBL4220573

SCHEMBL4220573

Cc1ccc(-c2cc(-c3ccccc3)cc3c2OC(COS(=O)(=O)c2ccc(C)cc2)C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.42
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 2/20 0.34
LMNA P02545 1/20 0.34
CA9 Q16790 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4234828 0.99 HPRT1 (0.40) HPRT1PTGS2ALDH1A1CYP3A4CYP2D6
SCHEMBL4233443 0.95 HPRT1 (0.38) HPRT1PTGS2ALDH1A1CYP3A4CYP2D6
SCHEMBL4235496 0.95 HPRT1 (0.38) HPRT1PTGS2MAPTVDR
SCHEMBL4218893 0.94 NPC1 (0.39) HPRT1PTGS2ALDH1A1MAPTCA2
SCHEMBL4226452 0.93 MAOB (0.35) HPRT1PTGS2ALDH1A1CYP3A4CYP2D6
SCHEMBL4225507 0.92 HPRT1 (0.36) HPRT1PTGS2ALDH1A1CYP3A4CYP2D6
SCHEMBL4224570 0.92 PTGS2 (0.36) HPRT1PTGS2ALDH1A1CYP3A4CYP2D6
SCHEMBL4225812 0.90 GRM5 (0.35) HPRT1ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4232191 0.90 MAPT (0.34) HPRT1PTGS2ALDH1A1CYP3A4CYP2D6
SCHEMBL4220582 0.90 ALKBH3 (0.39) ALDH1A1MAPTMAOBEDNRBEDNRA

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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A HPRT1 2577/4885PTGS2 2246/4885ALDH1A1 190/4885

“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.