SCHEMBL4467712

SCHEMBL4467712

COc1ccc(-c2ccc(C3C(C)OC(=O)N3C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.45
KMT2A Q03164 5/20 0.41
EGFR P00533 1/20 0.41
BACE1 P56817 1/20 0.40
MDM2 Q00987 2/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
MCL1 Q07820 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS2 P35354 2/20 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
SCHEMBL4448421 0.81 GRM2 (0.49) GRM2KMT2AMEN1RAB9AGAA
SCHEMBL9926818 0.76 TSHR (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1MAOA
SCHEMBL4467710 0.72 GRM2 (0.46) GRM2KMT2AEGFRMEN1SMN1; SMN2
SCHEMBL4447352 0.66 GRM2 (0.37) GRM2KMT2AMDM2MEN1KDM4E
SCHEMBL9726040 0.65 KDM4E (0.49) KMT2ASMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL10308932 0.65 KMT2A (0.48) KMT2ASMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL9151672 0.64 CA1 (0.79) BACE1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL197522 0.64 CA1 (0.79) BACE1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL6733562 0.64 CA1 (0.79) BACE1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL12619209 0.64 SMN1; SMN2 (0.46) KMT2AMDM2SMN1; SMN2ALDH1A1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 GRM2 4432/4885KMT2A 3825/4885EGFR 1863/4885

“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.