SCHEMBL1665627

SCHEMBL1665627

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.61
ALDH1A3 P47895 1/20 0.55
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 5/20 0.50
CYP2A6 P11509 1/20 0.50
TYR P14679 1/20 0.45
PARP10 Q53GL7 1/20 0.44
PARP3 Q9Y6F1 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TTR P02766 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MIF P14174 1/20 0.42
DRD1 P21728 1/20 0.42
STS P08842 1/20 0.40

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
SCHEMBL21795326 0.85 ELANE (0.79) ELANEKMT2AALDH1A1MAPTMEN1
SCHEMBL20344010 0.85 ALDH1A3 (0.52) ELANEALDH1A3KMT2AALDH1A1CYP2A6
SCHEMBL10457699 0.84 ELANE (0.49) ELANEALDH1A3KMT2AALDH1A1CYP2A6
SCHEMBL7079093 0.83 ELANE (0.59) ELANEALDH1A3KMT2AALDH1A1KDM4E
SCHEMBL203500 0.82 KMT2A (0.61) ELANEALDH1A3KMT2AALDH1A1CYP2A6
SCHEMBL11538324 0.81 ALDH1A3 (0.52) ELANEALDH1A3KMT2AALDH1A1CYP2A6
SCHEMBL13704172 0.80 ELANE (0.63) ELANEKMT2AKDM4EMAPTMEN1
SCHEMBL21325759 0.79 ELANE (0.70) ELANEMAPTLMNA
SCHEMBL28434069 0.79 POLB (0.52) ELANEALDH1A3KMT2AALDH1A1MAPT
SCHEMBL10389252 0.79 THRB (0.62) ELANEKMT2AALDH1A1TYRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292889-B1 BENZALDEHYDE DERIVATIVES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1992-09-02 EP claimed
CN-108047105-B 3-/4-ester-group-substituted benzaldehyde thiosemicarbazone derivative and preparation and application thereof 广东轻工职业技术学院 2020-06-26 CN disclosed
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
WO-2007100905-A2 ACRYLOYLOXYETHYLPHOSPHORYLCHOLINE CONTAINING POLYMER CONJUGATES AND THEIR PREPARATION NEXGEN THERAPEUTICS, LLC (US) 2007-09-07 WO disclosed
US-3994955-A Substituted phenoxydialkylacetic acids and esters G. D. SEARLE & CO. (US) 1976-11-30 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 ELANE 3978/4885ALDH1A3 3800/4885KMT2A 4240/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN ELANE 3978/4885ALDH1A3 3800/4885KMT2A 4240/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN ELANE 3978/4885ALDH1A3 3800/4885KMT2A 4240/4885

“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.