SCHEMBL5299248

SCHEMBL5299248

COc1ccc(OC)c(C(C)(C)N)c1OC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.37
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
ADRA1A P35348 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL20148901 0.82 MAPT (0.38) MAPTTDP1CYP19A1KDM4EALDH1A1
SCHEMBL25457558 0.77 CA2 (0.48) MAPTTDP1KDM4EALDH1A1HPGD
SCHEMBL5288290 0.77 AOC3 (0.40) AOC3MAPTTDP1CYP19A1KDM4E
SCHEMBL3674074 0.72 CA9 (0.50) AOC3MAPTTDP1CYP19A1KDM4E
SCHEMBL30701949 0.72 CA9 (0.50) AOC3MAPTTDP1CYP19A1KDM4E
SCHEMBL23771985 0.72 HPGD (0.38) MAPTTDP1CYP19A1KDM4EALDH1A1
SCHEMBL2955217 0.71 CA2 (0.43) MAPTTDP1KDM4EALDH1A1HPGD
SCHEMBL2589167 0.69 TSHR (0.37) MAPTTDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL11334313 0.68 AOC3 (0.51) AOC3MAPTCYP19A1KDM4EALDH1A1
SCHEMBL28474445 0.68 LMNA (0.38) CYP19A1ALDH1A1HPGDGAAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007016190-A2 ANTIPARKINSONIAN ACTION OF PHENYLISOPROPYLAMINES DUKE UNIVERSITY (US) 2007-02-08 WO claimed
US-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US claimed
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines UNIV DUKE (US) 2015-01-22 US disclosed
US-8877802-B2 Antiparkinsonian action of phenylisopropylamines Duke Univerity (US) 2014-11-04 US disclosed
WO-2007016190-A2 ANTIPARKINSONIAN ACTION OF PHENYLISOPROPYLAMINES DUKE UNIVERSITY (US) 2007-02-08 WO disclosed
US-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 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 (2 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-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT AOC3 1034/4885MAPT 393/4885TDP1 716/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT AOC3 1034/4885MAPT 393/4885TDP1 716/4885

“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.