SCHEMBL1665241

SCHEMBL1665241

CC(C)=CC(=O)Oc1ccc(C=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 6/20 0.50
CYP2A6 P11509 2/20 0.50
ALDH1A3 P47895 1/20 0.46
PARP10 Q53GL7 1/20 0.44
PARP3 Q9Y6F1 1/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
TTR P02766 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
STS P08842 1/20 0.40
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
HPGD P15428 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
SCHEMBL203500 0.82 KMT2A (0.61) KMT2AALDH1A1CYP2A6ALDH1A3PARP10
SCHEMBL4643258 0.80 KMT2A (0.56) KMT2AALDH1A1CYP2A6ALDH1A3PARP10
SCHEMBL5736870 0.78 RAB9A (0.50) KMT2AALDH1A1MAPTLMNASMN1; SMN2
Benzene SCHEMBL3155393 0.78 KMT2A (0.59) KMT2AALDH1A1CYP2A6ALDH1A3KDM4E
SCHEMBL13754641 0.78 SMN1; SMN2 (0.44) KMT2AALDH1A1KDM4EMAPTLMNA
SCHEMBL1405221 0.78 ELANE (0.47) KMT2AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL14783590 0.77 KMT2A (0.62) KMT2AALDH1A1CYP2A6ALDH1A3PARP10
SCHEMBL6790494 0.77 HSD17B10 (0.59) KMT2AALDH1A1CYP2A6ALDH1A3PARP10
SCHEMBL8620440 0.77 KMT2A (0.62) KMT2AALDH1A1CYP2A6ALDH1A3PARP10
SCHEMBL32665655 0.77 HSD17B10 (0.59) KMT2AALDH1A1PARP10LMNASMN1; SMN2

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 KMT2A 4240/4885ALDH1A1 2404/4885CYP2A6 540/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN KMT2A 4240/4885ALDH1A1 2404/4885CYP2A6 540/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN KMT2A 4240/4885ALDH1A1 2404/4885CYP2A6 540/4885

“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.