SCHEMBL1044588

SCHEMBL1044588

Oc1cc(Cl)ccc1OCC1CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
TTR P02766 3/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
PGR P06401 1/20 0.45
HSP90AA1 P07900 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
MAPT P10636 1/20 0.45
HSPA5 P11021 1/20 0.45
HPGD P15428 1/20 0.45
CBR1 P16152 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
AGTR1 P30556 1/20 0.45

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
SCHEMBL4177996 0.87 ALDH1A1 (0.46) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL3354399 0.87 ALDH1A1 (0.46) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL7962015 0.83 ALDH1A1 (0.49) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL29847389 0.83 ALDH1A1 (0.49) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL7962011 0.83 ALDH1A1 (0.49) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL2338368 0.83 ALDH1A1 (0.49) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL13646356 0.83 DRD4 (0.45) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL2122103 0.81 ALDH1A1 (0.46) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL2122110 0.81 ALDH1A1 (0.46) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL1044544 0.81 ALDH1A1 (0.50) ALDH1A1GLATP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
EP-2271635-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133109-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 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 (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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 ALDH1A1 1056/4885GLA 4603/4885TTR 4510/4885

“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.