SCHEMBL3118552

SCHEMBL3118552

OCCCc1cccc(Cc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CALM1 P0DP23 1/20 0.48
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
IDH1 O75874 1/20 0.47
FDFT1 P37268 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
IGF1R P08069 1/20 0.44
ALOX15 P16050 1/20 0.44
TBXA2R P21731 1/20 0.43
PLA2G10 O15496 1/20 0.43
PLA2G2A P14555 1/20 0.43
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41

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
SCHEMBL241880 0.87 CYP4F2 (0.53) LTA4HEPHX2TDP1CYP4F2CYP4A11
SCHEMBL1244841 0.81 CYP4F2 (0.49) LTA4HEPHX2TDP1PRSS1PRSS2
SCHEMBL238401 0.81 CYP4F2 (0.58) TDP1CYP4F2CYP4A11IGF1RALOX15
SCHEMBL19313659 0.81 CALM1 (0.60) MTNR1AMTNR1BCALM1IDH1FDFT1
Hydrocinnamyl Alcohol SCHEMBL27804855 0.80 TDP1 (0.70) LTA4HEPHX2TDP1IGF1RALOX15
Hydrocinnamyl Alcohol SCHEMBL1868196 0.80 TDP1 (0.70) LTA4HEPHX2TDP1IGF1RALOX15
Hydrocinnamyl Alcohol SCHEMBL27451293 0.80 TDP1 (0.70) LTA4HEPHX2TDP1IGF1RALOX15
Hydrocinnamyl Alcohol SCHEMBL1922 0.80 TDP1 (0.70) LTA4HEPHX2TDP1IGF1RALOX15
SCHEMBL81571 0.80 ACMSD (0.49) LTA4HEPHX2IDH1TDP1CYP4F2
SCHEMBL13971231 0.80 CALM1 (0.75) MTNR1AMTNR1BCALM1LTA4HIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
EP-1912992-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
WO-2007017262-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 MTNR1A 29/4885MTNR1B 50/4885CALM1 3480/4885

“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.