SCHEMBL7090216

SCHEMBL7090216

COc1c(C)cc(C(O)C(=O)c2cccc(-c3cc(C)cs3)c2-c2ccccc2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 8/20 0.36
HTT P42858 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
TNFRSF1A P19438 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32

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
SCHEMBL7090550 0.89 AKR1C3 (0.37) CTSAHTTTNFRSF1AUSP2AKR1C3
SCHEMBL7091319 0.88 TTR (0.34) CTSA
SCHEMBL7085135 0.85 TNF (0.39) HTTTNFRSF1APDE4APDE4BPDE4C
SCHEMBL7091527 0.83 TNFRSF1A (0.36) CTSAHTTCNR1CNR2TNFRSF1A
SCHEMBL7089475 0.83 AKR1C3 (0.33) HTTMEN1KMT2AAKR1C3AKR1C2
SCHEMBL7087779 0.81 ALDH1A1 (0.44) CNR2MEN1KMT2A
SCHEMBL7089313 0.74 RXFP1 (0.33) MEN1KMT2A
SCHEMBL7089403 0.73 ADORA3 (0.45) HTTCNR2TNFRSF1AKMT2ATUBB4A
SCHEMBL7085577 0.72 CES2 (0.49) HTTCNR2TNFRSF1AMEN1KMT2A
SCHEMBL7090554 0.71 NPSR1 (0.37) HTTCNR1CNR2MEN1KMT2A

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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US disclosed
EP-0772601-B1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 CTSA 3411/4885HTT 1363/4885CNR1 81/4885

“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.