SCHEMBL4324992

SCHEMBL4324992

OCCNCc1ccc(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 10/20 0.46
CD274 Q9NZQ7 10/20 0.46
USP28 Q96RU2 2/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 1/20 0.39
USP25 Q9UHP3 1/20 0.38
MPO P05164 2/20 0.38
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL7801335 0.78 KMT2A (0.42) CA2ALDH1A1KMT2ACYP1A2CYP2D6
SCHEMBL2595400 0.76 ACHE (0.48) PDCD1LG2CD274USP28ALDH1A1MPO
SCHEMBL16701643 0.74 MPO (0.64) CA2ALDH1A1MPOKMT2ACYP1A2
SCHEMBL4323675 0.74 P2RX7 (0.43) PDCD1LG2CD274CA2ALDH1A1KMT2A
SCHEMBL4323680 0.74 P2RX7 (0.43) PDCD1LG2CD274CA2ALDH1A1KMT2A
SCHEMBL4331911 0.74 P2RX7 (0.43) PDCD1LG2CD274CA2ALDH1A1KMT2A
SCHEMBL13242873 0.73 USP28 (0.41) PDCD1LG2CD274USP28ALDH1A1USP25
SCHEMBL19208040 0.73 CYP3A4 (0.48) PDCD1LG2CD274ALDH1A1KMT2ACYP1A2
SCHEMBL29781598 0.73 CYP3A4 (0.48) PDCD1LG2CD274ALDH1A1KMT2ACYP1A2
SCHEMBL1241765 0.73 CES2 (0.38) CA2ALDH1A1KMT2ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 US disclosed
EP-1953154-A1 MORPHOLINE TYPE CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117798-A1 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 PDCD1LG2 4018/4885CD274 3969/4885USP28 4830/4885

“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.