SCHEMBL1665984

SCHEMBL1665984

CC1(C)CN(C(=O)Oc2ccc(C=O)c(F)c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRNA3 P32297 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TRIM24 O15164 1/20 0.32
▸ TYR P14679 1/20 0.32
▸ TRIM33 Q9UPN9 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ ERN1 O75460 1/20 0.32
▸ CPS1 P31327 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.30
▸ GRM5 P41594 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
SCHEMBL1665656 0.77 NAAA (0.40) —
SCHEMBL4290435 0.76 SMN1; SMN2 (0.48) CHRNA3ALDH1A1ATMCPS1
SCHEMBL22322036 0.74 ALDH1A1 (0.57) ALDH1A1ATM
SCHEMBL4290438 0.72 SMN1; SMN2 (0.43) ALDH1A1ATMCPS1
SCHEMBL1665636 0.71 SMN1; SMN2 (0.60) ALDH1A1
SCHEMBL13662434 0.71 GPR119 (0.45) ALDH1A1
SCHEMBL1667625 0.70 KMT2A (0.48) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL14451166 0.68 THRB (0.41) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL14285929 0.68 ALDH1A3 (0.52) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL1665980 0.67 ALDH1A1 (0.38) ALDH1A1TRIM24TYRTRIM33ERN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493905-B1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT CO LLC (PR) 2016-11-30 — — EP disclosed
US-8822435-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-09-02 — — US disclosed
US-20140194389-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2014-07-10 — — US disclosed
US-8710215-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-04-29 — — US disclosed
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2013-02-07 — — US disclosed
US-8314081-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2012-11-20 — — US disclosed
EP-2493905-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS Warner Chilcott Company, LLC (PR) 2012-09-05 — — EP disclosed
WO-2011056589-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT COMPANY, LLC (US) 2011-05-12 — — WO disclosed
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2011-04-28 — — 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 (3 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-20140194389-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN CHRNA3 4712/4885ALDH1A1 2404/4885TRIM24 4622/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN CHRNA3 4712/4885ALDH1A1 2404/4885TRIM24 4622/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN CHRNA3 4712/4885ALDH1A1 2404/4885TRIM24 4622/4885

“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.

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