SCHEMBL4201960

SCHEMBL4201960

C/C(=C\c1ccc(-c2ccccc2)c(F)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.54
APEX1 P27695 7/20 0.49
PTGS1 P23219 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PTGS2 P35354 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
FABP2 P12104 1/20 0.49
TSHR P16473 1/20 0.49
AKR1C4 P17516 1/20 0.49
ADRA2B P18089 1/20 0.49
CHRM3 P20309 1/20 0.49
HTR2C P28335 1/20 0.49
DRD3 P35462 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL4201965 1.00 AKR1C3 (0.54) AKR1C3APEX1PTGS1MEN1KMT2A
SCHEMBL7209266 0.86 AKR1C3 (0.59) AKR1C3APEX1
SCHEMBL7204993 0.83 AKR1C3 (0.61) AKR1C3APEX1MEN1KMT2A
SCHEMBL6936533 0.80 TRPA1 (0.55) AKR1C3APEX1PTGS2LMNA
SCHEMBL6936531 0.80 TRPA1 (0.55) AKR1C3APEX1PTGS2LMNA
SCHEMBL4207637 0.80 MGLL (0.48) PTGS1PGRPDE4A
SCHEMBL4207634 0.80 MGLL (0.48) PTGS1PGRPDE4A
SCHEMBL11802318 0.79 GLA (0.54) AKR1C3PTGS1MEN1KMT2APTGS2
SCHEMBL11802307 0.79 GLA (0.54) AKR1C3PTGS1MEN1KMT2APTGS2
SCHEMBL2085780 0.78 AKR1C3 (0.52) AKR1C3APEX1PTGS1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
WO-2005092062-A2 COMPOUNDS FOR NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2005-10-06 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 AKR1C3 570/4885APEX1 4527/4885PTGS1 2198/4885

“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.