SCHEMBL7239384

SCHEMBL7239384

c1cc(OC[C@@H]2CO2)c2cn[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
GLA P06280 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
CYP3A4 P08684 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
IDO1 P14902 2/20 0.43
NOS1 P29475 4/20 0.41
AXL P30530 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
METAP2 P50579 1/20 0.39
BRD4 O60885 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL9534794 1.00 ALDH1A1 (0.49) ALDH1A1GLADRD2DRD4DRD3
SCHEMBL11508884 0.78 IDO1 (0.47) ALDH1A1GLACYP3A4TP53TSHR
SCHEMBL729501 0.78 ALDH1A1 (0.65) ALDH1A1GLACYP3A4TP53TSHR
SCHEMBL7679677 0.78 ALDH1A1 (0.38) ALDH1A1GLADRD2DRD4DRD3
SCHEMBL7679673 0.78 ALDH1A1 (0.38) ALDH1A1GLADRD2DRD4DRD3
SCHEMBL1499352 0.77 ALDH1A1 (0.51) ALDH1A1GLADRD2DRD4DRD3
SCHEMBL5756503 0.77 ALDH1A1 (0.51) ALDH1A1GLADRD2DRD4DRD3
SCHEMBL7884121 0.77 ALDH1A1 (0.51) ALDH1A1GLADRD2DRD4DRD3
SCHEMBL29989447 0.77 ALDH1A1 (0.51) ALDH1A1GLADRD2DRD4DRD3
SCHEMBL11517337 0.76 ALDH1A1 (0.48) ALDH1A1GLACYP3A4TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11173144-B2 Adrenergic receptor modulating compounds and methods of using the same THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-11-16 US disclosed
US-20200237724-A1 ADRENERGIC RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-07-30 US disclosed
US-6534504-B1 Increasing the quantity of meat or improving the quality of meat obtained from a livestock animal, comprising administering to the animal an effective amount of a compound represented by the following structural formula: ELI LILLY AND COMPANY 2003-03-18 US disclosed
WO-2001036390-A1 INDAZOLYLOXY PROPANOLAMINES FOR IMPROVING LIVESTOCK PRODUCTION ELI LILLY AND COMPANY (US) 2001-05-25 WO disclosed
WO-2001035947-A2 TREATING WASTING SYNDROMES WITH ARYLOXY PROPANOLAMINES ELI LILLY AND COMPANY (US) 2001-05-25 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-20200237724-A1 ADRENERGIC RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME ADRB1, ADRB2, ADRA1B ALDH1A1 1787/4885GLA 2014/4885DRD2 396/4885
US-11173144-B2 Adrenergic receptor modulating compounds and methods of using the same ADRB1, ADRB2, ADRA1B ALDH1A1 1787/4885GLA 2014/4885DRD2 396/4885

“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.