SCHEMBL439061

SCHEMBL439061

C1CC[C@@H](OCC2CO2)OC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
TP53 P04637 3/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
CYP1A2 P05177 1/20 0.30
PPARG P37231 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL436527 1.00 TSHR (0.45) TSHRTP53CYP3A4ALDH1A1TDP1
SCHEMBL12574578 1.00 TSHR (0.45) TSHRTP53CYP3A4ALDH1A1TDP1
SCHEMBL436526 1.00 TSHR (0.45) TSHRTP53CYP3A4ALDH1A1TDP1
SCHEMBL26260732 0.94 TSHR (0.41) TSHRTP53CYP3A4ALDH1A1TDP1
SCHEMBL19297387 0.88 LMNA (0.41) ALDH1A1MEN1KMT2AKDM4CNPC1
SCHEMBL7979466 0.88 MEN1 (0.37) ALDH1A1MEN1KMT2AKDM4CNPC1
SCHEMBL10354329 0.86 LMNA (0.43) ALDH1A1MEN1KMT2AKDM4CNPC1
SCHEMBL24855332 0.83 TSHR (0.62) TSHRTP53CYP3A4ALDH1A1TDP1
SCHEMBL22430923 0.83 TSHR (0.57) TSHRTP53CYP3A4ALDH1A1TDP1
SCHEMBL23135368 0.83 TSHR (0.39) TSHRTP53CYP3A4ALDH1A1TDP1

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-8101781-B2 Process for the preparation of highly optical pure carvedilol AHN-GOOK PHARMACEUTICAL CO., LTD. (KR) 2012-01-24 US disclosed
US-20090176992-A1 PROCESS FOR THE PREPARATION OF HIGHLY OPTICAL PURE CARVEDILOL RSTECH CORPORATION (KR) 2009-07-09 US disclosed
WO-2007097504-A1 PROCESS FOR THE PREPARATION OF HIGHLY OPTICAL PURE CARVEDILOL AHN-GOOK PHARMACEUTICAL CO., LTD. (KR) 2007-08-30 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 (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-20090176992-A1 PROCESS FOR THE PREPARATION OF HIGHLY OPTICAL PURE CARVEDILOL ADRB2, ADRB1, ADRB3 TSHR 525/4885TP53 4761/4885CYP3A4 27/4885

“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.