SCHEMBL1044489

SCHEMBL1044489

COc1cc(F)cc(F)c1OCC1CO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GLA P06280 1/20 0.44
TP53 P04637 3/20 0.39
TSHR P16473 3/20 0.39
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.38
DRD4 P21917 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTPN1 P18031 2/20 0.36
ACHE P22303 1/20 0.36
ADRA2C P18825 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL1044045 0.81 ALDH1A1 (0.49) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL5178937 0.79 ALDH1A1 (0.46) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL16922871 0.78 ALDH1A1 (0.51) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL4430970 0.78 ALDH1A1 (0.53) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL29161158 0.78 ALDH1A1 (0.49) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL21823505 0.75 HTR2A (0.51) MAPTSYK
SCHEMBL31096259 0.75 HTR2A (0.51) MAPTSYK
SCHEMBL18210492 0.75 ALDH1A1 (0.47) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL17857313 0.75 TUBB1 (0.47) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL3266050 0.74 ALDH1A1 (0.51) 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 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 4603/4885TP53 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.