SCHEMBL6001992

SCHEMBL6001992

COc1ccc(OC(C(=O)O)C(C)(C)C)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.42
AKR1C2 P52895 6/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PTGS2 P35354 3/20 0.40
PTGS1 P23219 3/20 0.40
CYP1A2 P05177 3/20 0.40
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
CDC42 P60953 1/20 0.40
RAC1 P63000 1/20 0.40
TSHR P16473 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
CTSL P07711 1/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL1368738 0.84 TDP1 (0.44) KDM4EALDH1A1CYP1A2EDNRBEDNRA
SCHEMBL1369990 0.82 PPARA (0.54) KDM4EALDH1A1CYP1A2EDNRBEDNRA
SCHEMBL1371347 0.82 PKM (0.50) KDM4EALDH1A1EDNRBEDNRAHPGD
SCHEMBL1371128 0.80 PTPN1 (0.43) AKR1C3AKR1C2PTGS2CYP1A2CYP2D6
SCHEMBL1369029 0.80 ABCB11 (0.41) AKR1C3AKR1C2KDM4EHSD17B10ALDH1A1
SCHEMBL1368634 0.79 FFAR1 (0.45) CYP1A2CYP2C19
SCHEMBL6002057 0.78 TBXA2R (0.40) KDM4EPOLBALDH1A1HPGDMAPT
SCHEMBL3979786 0.74 LDHA (0.59) KDM4EPOLBALDH1A1CYP1A2TSHR
SCHEMBL2283360 0.73 KMT2A (0.43) KDM4ECYP1A2EDNRBEDNRACYP2C19
SCHEMBL1371122 0.73 FFAR1 (0.42) ALDH1A1EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211765-A1 Novel compounds ASTRAZENECA AB (SE) 2006-09-21 US 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-20060211765-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 AKR1C3 333/4885AKR1C2 375/4885KDM4E 1696/4885

“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.