SCHEMBL1967894

SCHEMBL1967894

CC(=CCc1ccccc1F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
AKR1C3 P42330 3/20 0.43
MAOB P27338 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AKR1C2 P52895 2/20 0.40
MAPK1 P28482 1/20 0.40
SLC22A12 Q96S37 4/20 0.40
SLC2A9 Q9NRM0 1/20 0.40
APEX1 P27695 1/20 0.40
RIPK1 Q13546 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NOD2 Q9HC29 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL1967891 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EAKR1C3MAOBMEN1
SCHEMBL5489366 0.81 CTBP2 (0.47) ALDH1A1KDM4EAKR1C3MAOBKMT2A
SCHEMBL5421666 0.81 AKR1B1 (0.50) ALDH1A1AKR1C3SLC22A12SLC2A9
SCHEMBL17595074 0.81 AKR1B1 (0.50) ALDH1A1AKR1C3SLC22A12SLC2A9
SCHEMBL11395760 0.81 CTBP2 (0.47) ALDH1A1KDM4EAKR1C3MAOBKMT2A
SCHEMBL28250552 0.80 AKR1C3 (0.44) ALDH1A1KDM4EAKR1C3MAOBMEN1
SCHEMBL11393609 0.79 AKR1C3 (0.43) ALDH1A1KDM4EAKR1C3SLC22A12SLC2A9
SCHEMBL3628109 0.79 CTBP2 (0.46) ALDH1A1KDM4EAKR1C3MAOBMEN1
SCHEMBL6474057 0.79 AKR1C3 (0.43) AKR1C3SLC22A12SLC2A9APEX1
SCHEMBL6474065 0.79 AKR1C3 (0.43) AKR1C3SLC22A12SLC2A9APEX1

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-20110172097-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing The Same BASF SE (DE) 2011-07-14 US disclosed
EP-2334650-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, THEIR USE AND AGENTS CONTAINING THE SAME BASF SE (DE) 2011-06-22 EP disclosed
WO-2010031848-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, THEIR USE AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-03-25 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-20110172097-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing The Same COX4I1, CYP2C19, CYP3A43 ALDH1A1 249/4885KDM4E 2699/4885AKR1C3 1254/4885

“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.