SCHEMBL5296647

SCHEMBL5296647

CCOc1cc(C(C)(C)N)c(OC)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.41
HTR2A P28223 3/20 0.40
ENPP1 P22413 1/20 0.40
PDE4D Q08499 5/20 0.39
TSHR P16473 2/20 0.39
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CALM1 P0DP23 1/20 0.37
PDE3B Q13370 1/20 0.37

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
SCHEMBL2761860 1.00 KDM4E (0.46) KDM4EMAPTGAAMAPK1HTR2A
SCHEMBL5297144 0.95 KDM4E (0.47) KDM4EMAPTGAAMAPK1HTR2A
SCHEMBL5297130 0.87 CYP3A4 (0.47) KDM4EMAPTGAAHTR2ATSHR
SCHEMBL5296300 0.86 ENPP1 (0.42) KDM4EMAPTGAAHTR2AENPP1
SCHEMBL28662301 0.80 KDM4E (0.57) KDM4EMAPTGAAMAPK1HTR2A
SCHEMBL28311309 0.80 KDM4E (0.57) KDM4EMAPTGAAMAPK1HTR2A
SCHEMBL14083357 0.74 ENPP1 (0.45) KDM4EMAPTGAAMAPK1HTR2A
SCHEMBL21000852 0.72 KDM4E (0.60) KDM4EMAPTGAAMAPK1HTR2A
SCHEMBL2952854 0.72 KMT2A (0.42) KDM4EMAPTGAAMAPK1HTR2A
SCHEMBL3256565 0.72 HTR2A (0.46) MAPTHTR2ACYP3A4HPGDLMNA

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 KDM4E 1233/4885MAPT 393/4885GAA 59/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT KDM4E 1233/4885MAPT 393/4885GAA 59/4885

“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.