SCHEMBL887378

SCHEMBL887378

O=P1(O)Sc2ccc3c(c2-c2c(ccc4c2CCCC4)S1)CCCC3

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.39
PARP1 P09874 1/20 0.37
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
NQO1 P15559 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL887383 0.81 CES1 (0.33) CES1PARP1
SCHEMBL887289 0.69 PARP1 (0.40) CES1PARP1BCL2L1BADGRIA1
SCHEMBL29463992 0.69 GPR84 (0.44) CES1PARP1BCL2L1BADGRIA1
SCHEMBL6557292 0.69 GPR84 (0.44) CES1PARP1BCL2L1BADGRIA1
SCHEMBL18965866 0.68 GPR84 (0.42) CES1PARP1BCL2L1BADGRIA1
SCHEMBL18965964 0.68 GPR84 (0.42) CES1PARP1BCL2L1BADGRIA1
SCHEMBL1284960 0.66 BCL2L1 (0.58) CES1PARP1BCL2L1BADGRIA1
SCHEMBL10891123 0.66 CES1 (0.42) CES1PARP1BCL2L1BADNQO1
SCHEMBL1278375 0.65 BCL2L1 (0.52) CES1PARP1BCL2L1BADGRIA1
SCHEMBL9461283 0.62 BCL2L1 (0.50) CES1PARP1BCL2L1BADGRIA1

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-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 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-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 CES1 2520/4885PARP1 2047/4885BCL2L1 3679/4885

“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.