SCHEMBL5309012

SCHEMBL5309012

COc1cc(C(C)(C)N)cc2c1OCCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL5305762 0.87 CYP3A4 (0.51) ALDH1A1POLBCYP3A4SMN1; SMN2LMNA
SCHEMBL15032873 0.87 PLK1 (0.50) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL11999824 0.78 PLK1 (0.54) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL12184928 0.76 PLK1 (0.53) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL12118415 0.73 CYP3A4 (0.54) ALDH1A1POLBCYP3A4SMN1; SMN2LMNA
SCHEMBL12776179 0.73 CYP3A4 (0.50) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL18397104 0.72 ALDH1A1 (0.53) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL29859704 0.72 ALDH1A1 (0.53) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL13092266 0.71 PLK1 (0.48) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL13085692 0.70 PLK1 (0.50) PLK1ALDH1A1KDM4EPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PLK1 484/4885ALDH1A1 926/4885KDM4E 1233/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT PLK1 484/4885ALDH1A1 926/4885KDM4E 1233/4885

“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.