SCHEMBL4211223

SCHEMBL4211223

CCC(CC)(C(=O)OC)c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.46
AKR1C3 P42330 4/20 0.45
AKR1C2 P52895 4/20 0.45
APP P05067 1/20 0.45
RORA P35398 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
PTGS1 P23219 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PTGS2 P35354 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
FABP2 P12104 1/20 0.44
TSHR P16473 1/20 0.44
AKR1C4 P17516 1/20 0.44
ADRA2B P18089 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
AKR1C1 Q04828 1/20 0.44

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
SCHEMBL4205280 0.86 APP (0.52) RORCAKR1C3AKR1C2APPRORA
SCHEMBL7327823 0.84 AKR1C3 (0.50) RORCAKR1C3AKR1C2APPPTGS1
SCHEMBL8754966 0.82 APP (0.58) RORCAKR1C3AKR1C2APPPTGS1
SCHEMBL4201571 0.82 APP (0.58) RORCAKR1C3AKR1C2APPPTGS1
SCHEMBL7326882 0.80 AKR1C3 (0.49) RORCAKR1C3AKR1C2APPPTGS1
SCHEMBL5319568 0.80 APP (0.46) RORCAKR1C3AKR1C2APPRORA
SCHEMBL8811656 0.80 AKR1C3 (0.46) RORCAKR1C3AKR1C2APPPTGS1
SCHEMBL6186134 0.78 APP (0.47) RORCAKR1C3AKR1C2APPPTGS1
SCHEMBL4201648 0.77 APP (0.55) RORCAKR1C3AKR1C2APPPTGS1
SCHEMBL2138531 0.76 APP (0.48) AKR1C3AKR1C2APPPTGS1MEN1

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 RORC 1331/4885AKR1C3 570/4885AKR1C2 653/4885

“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.