SCHEMBL381031

SCHEMBL381031

CCOC(=O)c1cc(C)oc1-c1cccc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.54
KDM4E B2RXH2 7/20 0.54
CYP2C19 P33261 3/20 0.51
CYP2C9 P11712 2/20 0.51
RECQL P46063 1/20 0.51
HPGD P15428 6/20 0.50
MAOB P27338 2/20 0.48
GAA P10253 2/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
GLA P06280 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CSNK1D P48730 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL382167 0.84 ALOX5 (0.49) ALDH1A1CYP2C19HPGDMAOBGAA
SCHEMBL381345 0.84 FAAH (0.55) ALDH1A1KDM4EHPGDTP53SMN1; SMN2
SCHEMBL11718771 0.84 ALDH1A1 (0.60) ALDH1A1KDM4ECYP2C19CYP2C9RECQL
SCHEMBL381742 0.83 FAAH (0.55) KDM4ECYP2C19CYP2C9HPGDMEN1
SCHEMBL381279 0.80 FAAH (0.63) ALDH1A1KMT2AFAAHMGLL
SCHEMBL11382098 0.80 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDMAOBGAA
SCHEMBL5885102 0.80 ALDH1A1 (0.59) ALDH1A1KDM4ECYP2C19CYP2C9HPGD
SCHEMBL380970 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ERECQLHPGDMAOB
SCHEMBL381172 0.79 FAAH (0.54) ALDH1A1HPGDFAAHMGLL
SCHEMBL1969979 0.78 TARBP2 (0.50) ALDH1A1KDM4EHPGDCSNK1DKMT2A

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 454/4885CYP2C19 271/4885

“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.