SCHEMBL380970

SCHEMBL380970

CCOC(=O)c1cc(-c2cccc(OC)c2)oc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
KDM4E B2RXH2 8/20 0.54
HPGD P15428 7/20 0.51
MAOB P27338 2/20 0.51
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
GLA P06280 1/20 0.51
CA3 P07451 1/20 0.51
GAA P10253 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
MAPT P10636 2/20 0.49
CSNK1D P48730 1/20 0.47
HSD17B10 Q99714 4/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL3102220 0.88 MAPT (0.55) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL29859324 0.85 TARBP2 (0.55) ALDH1A1KDM4EHPGDMAOBCA12
SCHEMBL426517 0.85 HTT (0.48) ALDH1A1KDM4EHPGDMAOBGAA
SCHEMBL381400 0.84 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL29742792 0.84 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL3100114 0.84 TSHR (0.54) ALDH1A1HPGDGLAGAAMAPT
SCHEMBL381692 0.83 SLC9A1 (0.54) ALDH1A1KDM4EHPGDMAOBMAPT
SCHEMBL24952179 0.80 MEN1 (0.52) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL31223779 0.80 MEN1 (0.52) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL5885102 0.80 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDMAOBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252865-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-10-04 US disclosed
EP-2408743-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2012-01-25 EP disclosed
WO-2010105930-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-09-23 WO 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-20120252865-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS ACHE, CHRNA10, CHRNA5 ALDH1A1 818/4885KDM4E 454/4885HPGD 1636/4885

“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.