SCHEMBL5297130

SCHEMBL5297130

COc1cc(OC)c(C(C)(C)N)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HTR2A P28223 3/20 0.44
HTR2C P28335 1/20 0.39
MAPT P10636 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.35
HMGCR P04035 1/20 0.35
ACHE P22303 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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 0.87 KDM4E (0.46) CYP3A4LMNATP53HPGDALOX15
SCHEMBL5296647 0.87 KDM4E (0.46) CYP3A4LMNATP53HPGDALOX15
SCHEMBL5297144 0.84 KDM4E (0.47) CYP3A4LMNATP53HPGDALOX15
SCHEMBL5296300 0.84 ENPP1 (0.42) CYP3A4LMNATP53HPGDALOX15
SCHEMBL3256565 0.83 HTR2A (0.46) CYP3A4LMNATP53HPGDALOX15
SCHEMBL3134566 0.83 HTR2A (0.43) CYP3A4LMNATP53HPGDALOX15
SCHEMBL11787526 0.82 CYP3A4 (0.39) CYP3A4LMNATP53HPGDALOX15
SCHEMBL16579351 0.80 HTR2A (0.41) CYP3A4LMNATP53HPGDALOX15
SCHEMBL12781654 0.80 CYP3A4 (0.68) CYP3A4LMNATP53HPGDALOX15
SCHEMBL26061525 0.79 CYP3A4 (0.41) CYP3A4LMNATP53HPGDALOX15

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 CYP3A4 1488/4885LMNA 2266/4885TP53 4682/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT CYP3A4 1488/4885LMNA 2266/4885TP53 4682/4885

“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.