SCHEMBL1448876

SCHEMBL1448876

COc1ccc2cc([C@](C)(CCCCBr)C(=O)O)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
AKR1C3 P42330 6/20 0.43
AKR1C2 P52895 6/20 0.43
PTGS1 P23219 4/20 0.43
AKR1C1 Q04828 1/20 0.39
CCR9 P51686 1/20 0.39
PPARA Q07869 1/20 0.39
PTGS2 P35354 3/20 0.39
CDC42 P60953 1/20 0.39
RAC1 P63000 1/20 0.39
TSHR P16473 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 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
SCHEMBL1395988 0.87 AKR1C3 (0.43) KDM4EALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL8756075 0.87 CNR2 (0.45) KDM4EALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL1395986 0.87 AKR1C3 (0.43) KDM4EALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL220266 0.84 AKR1C3 (0.47) KDM4EALDH1A1CYP1A2HSD17B10HPGD
Hydrochloric Acid SCHEMBL220256 0.82 AKR1C3 (0.44) KDM4EALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL1396028 0.81 KDM4E (0.40) KDM4EALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL27816060 0.81 KDM4E (0.40) KDM4EALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL28917251 0.81 CYP1A2 (0.42) KDM4EALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL506525 0.81 AKR1C3 (0.49) KDM4EALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL220299 0.81 AKR1C3 (0.43) KDM4EALDH1A1CYP1A2HSD17B10HPGD

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-20110054020-A1 NAPTHYLENE INHIBITORS OF CYCLOOXYGENASE AUSPEX PHARMACEUTICALS, INC. (US) 2011-03-03 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-20110054020-A1 NAPTHYLENE INHIBITORS OF CYCLOOXYGENASE PTGES, PTGES2, PTGES3 KDM4E 772/4885ALDH1A1 305/4885CYP1A2 44/4885

“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.