SCHEMBL5800288

SCHEMBL5800288

Cc1ccc(C=C(C(=O)O)c2ccc(F)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.71
HTT P42858 1/20 0.71
MEN1 O00255 1/20 0.69
POLB P06746 1/20 0.69
KMT2A Q03164 1/20 0.69
AKR1C3 P42330 6/20 0.68
AKR1C1 Q04828 4/20 0.68
PTGS2 P35354 4/20 0.68
AKR1C2 P52895 3/20 0.68

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
SCHEMBL30493211 0.91 ALDH1A1 (0.83) ALDH1A1HTTMEN1POLBKMT2A
SCHEMBL3802490 0.85 AKR1C3 (0.68) ALDH1A1HTTMEN1POLBKMT2A
SCHEMBL13347271 0.85 AKR1C3 (0.68) ALDH1A1HTTMEN1POLBKMT2A
SCHEMBL3802491 0.85 AKR1C3 (0.68) ALDH1A1HTTMEN1POLBKMT2A
SCHEMBL12485905 0.84 MEN1 (0.81) ALDH1A1HTTMEN1POLBKMT2A
SCHEMBL12485904 0.84 MEN1 (0.81) ALDH1A1HTTMEN1POLBKMT2A
SCHEMBL9125576 0.84 AKR1C1 (0.75) ALDH1A1HTTMEN1POLBKMT2A
SCHEMBL9125567 0.84 AKR1C1 (0.75) ALDH1A1HTTMEN1POLBKMT2A
SCHEMBL22510926 0.83 ALDH1A1 (1.00) ALDH1A1HTTMEN1POLBKMT2A
SCHEMBL3040559 0.83 AKR1C3 (0.75) ALDH1A1HTTMEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 US disclosed
WO-2006058201-A2 HETEROCYCLIC AND BICYCLIC COMPOUNDS, COMPOSITIONS AND METHODS REDDY US THERAPEUTICS, INC. (US) 2006-06-01 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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG ALDH1A1 2033/4885HTT 780/4885MEN1 2168/4885

“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.