SCHEMBL4840123

SCHEMBL4840123

O=[C][C@@H](O)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.43
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
AOC3 Q16853 1/20 0.42
HIF1A Q16665 3/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 2/20 0.40
CASP1 P29466 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.38
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
IDO2 Q6ZQW0 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NR1I2 O75469 1/20 0.37
ABCB11 O95342 1/20 0.37

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
SCHEMBL29413799 0.80 ADRB2 (0.43) ACP3ADRB2ADRB1AOC3HIF1A
SCHEMBL136204 0.80 ADRB2 (0.43) ACP3ADRB2ADRB1AOC3HIF1A
SCHEMBL194130 0.78 TSHR (0.50) ACP3ADRB2ADRB1AOC3HIF1A
SCHEMBL29397364 0.78 TSHR (0.50) ACP3ADRB2ADRB1AOC3HIF1A
SCHEMBL31026111 0.78 TSHR (0.50) ACP3ADRB2ADRB1AOC3HIF1A
SCHEMBL194129 0.78 TSHR (0.50) ACP3ADRB2ADRB1AOC3HIF1A
SCHEMBL29501942 0.78 TSHR (0.50) ACP3ADRB2ADRB1AOC3HIF1A
SCHEMBL1628799 0.78 TSHR (0.50) ACP3ADRB2ADRB1AOC3HIF1A
SCHEMBL456765 0.77 ADRB2 (0.47) ACP3ADRB2ADRB1AOC3HIF1A
SCHEMBL11606505 0.76 TSHR (0.50) ACP3ADRB2ADRB1AOC3HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462731-B2 Processes for the preparation of heterocyclic hydroxyamines and intermediates and catalysts for use therein NPIL PHARMACEUTICALS (UK) LIMITED (GB) 2008-12-09 US disclosed
US-20050272940-A1 Processes for the preparation of heterocyclic hydroxyamines and intermediates and catalysts for use therein AVECIA LIMITED (GB) 2005-12-08 US disclosed
EP-1542985-A2 PROCESSES FOR THE PREPARATION OF HETEROCYCLIC HYDROXYAMINES AND INTERMEDIATES AND CATALYSTS FOR USE THEREIN Avecia Limited (GB) 2005-06-22 EP disclosed
WO-2004024708-A2 PROCESSES FOR THE PREPARATION OF HETEROCYCLIC HYDROXYAMINES AND INTERMEDIATES AND CATALYSTS FOR USE THEREIN AVECIA LIMITED (GB) 2004-03-25 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 (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-20050272940-A1 Processes for the preparation of heterocyclic hydroxyamines and intermediates and catalysts for use therein OXGR1, HRH3, HRH4 ACP3 4168/4885ADRB2 186/4885ADRB1 287/4885

“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.