SCHEMBL1325958

SCHEMBL1325958

CCCN1CCc2cc(O)cc3c2C1Cc1ccc(O)c(O)c1-3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 1.00
MAPK1 P28482 5/20 1.00
ALDH1A1 P00352 4/20 1.00
RGS12 O14924 3/20 1.00
CYP1A2 P05177 3/20 1.00
THPO P40225 3/20 1.00
MTOR P42345 3/20 1.00
GNAI1 P63096 3/20 1.00
HIF1A Q16665 3/20 1.00
HSD17B10 Q99714 3/20 1.00
TP53 P04637 2/20 1.00
CYP2D6 P10635 2/20 1.00
NFKB1 P19838 2/20 1.00
CYP2C9 P11712 1/20 1.00
KDM4E B2RXH2 4/20 0.98
LMNA P02545 4/20 0.98
HPGD P15428 4/20 0.98
PMP22 Q01453 4/20 0.98
KMT2A Q03164 4/20 0.98
NPSR1 Q6W5P4 2/20 0.98

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
SCHEMBL1325960 1.00 MAPT (1.00) MAPTMAPK1ALDH1A1RGS12CYP1A2
SCHEMBL29380552 1.00 MAPT (1.00) MAPTMAPK1ALDH1A1RGS12CYP1A2
Bromide SCHEMBL1325232 0.99 MAPT (1.00) MAPTMAPK1ALDH1A1RGS12CYP1A2
Bromide SCHEMBL1325230 0.99 MAPT (1.00) MAPTMAPK1ALDH1A1RGS12CYP1A2
SCHEMBL10955950 0.92 MAPT (0.85) MAPTMAPK1ALDH1A1RGS12CYP1A2
SCHEMBL12878037 0.90 DRD1 (1.00) MAPTMAPK1ALDH1A1RGS12CYP1A2
SCHEMBL12284387 0.89 DRD3 (1.00) MAPTMAPK1ALDH1A1RGS12CYP1A2
SCHEMBL14535819 0.89 DRD3 (1.00) MAPTMAPK1ALDH1A1RGS12CYP1A2
SCHEMBL29387586 0.87 DRD3 (1.00) MAPTMAPK1ALDH1A1RGS12CYP1A2
SCHEMBL12284193 0.87 DRD3 (1.00) MAPTMAPK1ALDH1A1RGS12CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162231-A1 Alzheimer's disease; antiagglomerant of amyloid deposits TENNESSEE RESEARCH FOUNDATION, UNIVERSITY 2003-08-28 US claimed
EP-0040074-B1 N-SUBSTITUTED APORPHINES, A METHOD OF INDUCING EMESIS AND A METHOD OF CONTROLLING PSYCHOSIS UTILISING THE SAME NORTHEASTERN UNIVERSITY (US) 1985-07-31 EP claimed
EP-0040074-A1 N-substituted aporphines, a method of inducing emesis and a method of controlling psychosis utilising the same NORTHEASTERN UNIVERSITY (US) 1981-11-18 EP claimed
WO-2018162522-A1 USE OF DOPAMINE RECEPTOR AGONIST FOR THE TREATMENT OF A COLORECTAL CANCERS UNIVERSITY OF COPENHAGEN (DK) 2018-09-13 WO disclosed
US-8058243-B2 Method for treating a brain cancer with ifenprodil HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2011-11-15 US disclosed
US-20110218158-A1 DNA CYTOSINE DEAMINASE INHIBITORS REGENTS OF THE UNIVERSITY OF MINNESOTA 2011-09-08 US disclosed
US-20110218158-A1 DNA CYTOSINE DEAMINASE INHIBITORS REGENTS OF THE UNIVERSITY OF MINNESOTA 2011-09-08 US disclosed
US-20100168085-A1 Dopamine and agonists and antagonists thereof for modulation of suppressive activity of CD4+CD25+ regulatory T cells YESA RESEARCH AND DEVELOPMENT CO. LTD. AT THE WEIZMANN INSTITUTE OF SCIENCE (IL) 2010-07-01 US disclosed
WO-2010033986-A2 DNA CYTOSINE DEAMINASE INHIBITORS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2010-03-25 WO disclosed
US-20060234385-A1 Polyglutamine repeat sequences WETZEL RONALD 2006-10-19 US disclosed
US-7067321-B2 Polyglutamine repeat sequences UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2006-06-27 US disclosed
EP-1626703-A2 DOPAMINE AND AGONISTS AND ANTAGONISTS THEREOF FOR MODULATION OF SUPPRESSIVE ACTIVITY OF CD4+CD25+ REGULATORY T CELLS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2006-02-22 EP disclosed
WO-2004103262-A2 DOPAMINE AND AGONISTS AND ANTAGONISTS THEREOF FOR MODULATION OF SUPPRESSIVE ACTIVITY OF CD4+CD25+ REGULATORY T CELLS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2004-12-02 WO disclosed
US-20030162231-A1 Alzheimer's disease; antiagglomerant of amyloid deposits TENNESSEE RESEARCH FOUNDATION, UNIVERSITY 2003-08-28 US disclosed
EP-0040074-B1 N-SUBSTITUTED APORPHINES, A METHOD OF INDUCING EMESIS AND A METHOD OF CONTROLLING PSYCHOSIS UTILISING THE SAME NORTHEASTERN UNIVERSITY (US) 1985-07-31 EP 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-20110218158-A1 DNA CYTOSINE DEAMINASE INHIBITORS DCTD, APOBEC3A, UNG MAPT 4260/4885MAPK1 4366/4885ALDH1A1 795/4885

“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.