SCHEMBL13953442

SCHEMBL13953442

C[C@@H](O)C1CCC(F)(F)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
EPHX2 P34913 1/20 0.32
IDO1 P14902 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2B6 P20813 1/20 0.30
KCNH2 Q12809 1/20 0.30
TDO2 P48775 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
SCHEMBL21983594 1.00 L3MBTL1 (0.32) L3MBTL1EPHX2IDO1CYP3A4CYP2D6
SCHEMBL13953258 1.00 L3MBTL1 (0.32) L3MBTL1EPHX2IDO1CYP3A4CYP2D6
SCHEMBL16237425 0.81 IDO1 (0.31) IDO1CYP3A4CYP2D6CYP2B6KCNH2
SCHEMBL13932853 0.80 UGT2B7 (0.32) EPHX2
SCHEMBL13932851 0.80 UGT2B7 (0.32) EPHX2
SCHEMBL21963881 0.79 L3MBTL1 (0.36) L3MBTL1IDO1TDO2
SCHEMBL21963958 0.79 L3MBTL1 (0.36) L3MBTL1IDO1TDO2
SCHEMBL21963681 0.79 L3MBTL1 (0.36) L3MBTL1IDO1TDO2
SCHEMBL681112 0.78
SCHEMBL12688048 0.77 ESR2 (0.36) L3MBTL1

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-20090048227-A1 Substituted-1-Phthalazinamines As Vr- 1 Antagonists MERCK SHARP & DOHME CORP. 2009-02-19 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-20090048227-A1 Substituted-1-Phthalazinamines As Vr- 1 Antagonists TRPV1, TRPV2, TRPV5 L3MBTL1 3936/4885EPHX2 4566/4885IDO1 302/4885

“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.