SCHEMBL14192004

SCHEMBL14192004

CC[C@H](C(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.64
AKR1C2 P52895 10/20 0.64
AKR1C1 Q04828 1/20 0.54
PTGS1 P23219 1/20 0.54
KCNQ2 O43526 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FFAR1 O14842 1/20 0.46

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
SCHEMBL30730198 1.00 AKR1C3 (0.64) AKR1C3AKR1C2AKR1C1PTGS1KCNQ2
SCHEMBL6017403 1.00 AKR1C3 (0.64) AKR1C3AKR1C2AKR1C1PTGS1KCNQ2
SCHEMBL9242973 0.88 AKR1C3 (0.64) AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL11192581 0.86 AKR1C3 (0.54) AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL585600 0.86 AKR1C3 (0.54) AKR1C3AKR1C2AKR1C1PTGS1KCNQ2
SCHEMBL9063835 0.86 AKR1C3 (0.51) AKR1C3AKR1C2AKR1C1PTGS1KCNQ2
SCHEMBL1590616 0.85 AKR1C3 (0.50) AKR1C3AKR1C2AKR1C1PTGS1KCNQ2
SCHEMBL22230559 0.85 AKR1C3 (0.56) AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL9064210 0.82 AKR1C3 (0.48) AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL4914159 0.82 AKR1C3 (0.48) AKR1C3AKR1C2AKR1C1PTGS1KCNQ2

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-20080124402-A1 N-(Pyridin-3-Yl)-2-Phenylbutanamides As Androgen Receptor Modulators MERCK & CO., INC. (US) 2008-05-29 US disclosed
US-20080124402-A1 N-(Pyridin-3-Yl)-2-Phenylbutanamides As Androgen Receptor Modulators MERCK & CO., INC. (US) 2008-05-29 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-20080124402-A1 N-(Pyridin-3-Yl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 AKR1C3 328/4885AKR1C2 504/4885AKR1C1 663/4885

“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.