SCHEMBL12409581

SCHEMBL12409581

COC(=O)Cc1ccc(C)c(Oc2ccc(N=O)cc2CSCC(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
GFER P55789 1/20 0.34
PDK2 Q15119 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.31
CTSD P07339 1/20 0.31
EGFR P00533 1/20 0.31
SYK P43405 1/20 0.31
ABL1 P00519 1/20 0.30
RIN1 Q13671 1/20 0.30
HTR7 P34969 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
MAPT P10636 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL12407965 0.91 GAA (0.41) CYP3A4ALDH1A1GAAGFERPDK2
SCHEMBL12409579 0.89 CYP3A4 (0.36) CYP3A4ALDH1A1GAAGFERPDK2
SCHEMBL12409585 0.88 CYP3A4 (0.34) CYP3A4ALDH1A1GAAGFERPDK2
SCHEMBL12408164 0.87 CYP3A4 (0.33) CYP3A4ALDH1A1GAAGFERPDK2
SCHEMBL350027 0.87 ALDH1A1 (0.40) CYP3A4ALDH1A1GAAGFERPDK2
SCHEMBL12409556 0.85 CYP3A4 (0.40) CYP3A4ALDH1A1GAALMNAABL1
SCHEMBL349399 0.83 ALDH1A1 (0.42) CYP3A4ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL348007 0.83 CYP3A4 (0.55) CYP3A4ALDH1A1GAAGFERNPC1
SCHEMBL347760 0.77 ALDH1A1 (0.40) CYP3A4ALDH1A1GAAGFERPDK2
SCHEMBL349488 0.76 GAA (0.39) CYP3A4ALDH1A1GAAGFERPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885ALDH1A1 2155/4885GAA 3473/4885

“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.