SCHEMBL1018660

SCHEMBL1018660

O=COc1cc(Br)ccc1OC[C@@H]1CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
GLA P06280 1/20 0.42
TP53 P04637 3/20 0.41
TSHR P16473 3/20 0.41
HIF1A Q16665 2/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.37
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
VDR P11473 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
SLC6A4 P31645 2/20 0.34
PYGL P06737 2/20 0.34
DRD4 P21917 1/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 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
SCHEMBL1019294 1.00 ALDH1A1 (0.42) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL1019619 1.00 ALDH1A1 (0.42) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL27038684 0.94 ALDH1A1 (0.42) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL21468855 0.84 ALDH1A1 (0.46) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL1044742 0.84 ALDH1A1 (0.46) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL6978416 0.83 ALDH1A1 (0.49) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL6978419 0.83 ALDH1A1 (0.49) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL6978414 0.83 ALDH1A1 (0.49) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL6980425 0.83 DRD4 (0.43) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL6980421 0.83 DRD4 (0.43) ALDH1A1GLATP53TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271634-B1 MODULATORS OF DOPAMINE NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2014-02-12 EP disclosed
US-8524766-B2 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2013-09-03 US disclosed
US-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
US-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
EP-2271634-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
EP-2271635-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133107-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 WO disclosed
WO-2009133109-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 WO disclosed
EP-0839145-B1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2003-11-05 EP disclosed
US-5935973-A AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS KNOLL AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed
EP-0839145-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 EP disclosed
WO-1997003071-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 WO 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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 ALDH1A1 1056/4885GLA 4603/4885TP53 4883/4885
US-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 ALDH1A1 1056/4885GLA 4603/4885TP53 4883/4885

“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.