SCHEMBL10241648

SCHEMBL10241648

COCCCOc1ccc(C)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.44
PPARD Q03181 1/20 0.43
HPGD P15428 1/20 0.43
PDIA6 Q15084 1/20 0.42
LTA4H P09960 2/20 0.41
NR5A1 Q13285 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL11983843 0.85 LTA4H (0.56) ADRB2PDIA6LTA4HNR5A1CYP1A2
SCHEMBL28233564 0.82 NR5A1 (0.62) PDIA6LTA4HNR5A1MAPTMEN1
SCHEMBL4647002 0.81 NR1I2 (0.46) ADRB2PDIA6LTA4HNR5A1ALDH1A1
SCHEMBL4233371 0.81 LTA4H (0.56) ADRB2LTA4HNR5A1MAPTMEN1
SCHEMBL12314714 0.81 TSHR (0.41) ADRB2HPGDMAPK1MAPTMEN1
SCHEMBL13241443 0.81 KDM4E (0.40) ADRB2PPARDHPGDPDIA6MAPK1
SCHEMBL13298116 0.81 NR5A1 (0.66) LTA4HNR5A1MAPTMEN1NPC1
SCHEMBL17445865 0.81 NR5A1 (0.66) LTA4HNR5A1MAPTMEN1NPC1
SCHEMBL9008240 0.81 NR5A1 (0.66) LTA4HNR5A1MAPTMEN1NPC1
SCHEMBL10879381 0.79 LTA4H (0.62) LTA4HNR5A1CYP1A2CYP2C19MEN1

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-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ADRB2 187/4885PPARD 2584/4885HPGD 272/4885

“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.