SCHEMBL29784206

SCHEMBL29784206

Cc1cccc(OCc2ccccc2)c1-c1cccc(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.65
MRGPRX4 Q96LA9 10/20 0.62
RXRA P19793 1/20 0.59
RXRB P28702 1/20 0.59
RXRG P48443 1/20 0.59
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
MITF O75030 1/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
XBP1 P17861 1/20 0.55
NFKB1 P19838 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
KMT2A Q03164 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP2C9 P11712 1/20 0.55
NR4A2 P43354 1/20 0.55
MGLL Q99685 1/20 0.54

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
SCHEMBL22442364 1.00 PTGER1 (0.65) PTGER1MRGPRX4RXRARXRBRXRG
SCHEMBL30719053 0.83 MAPT (0.62) PTGER1MRGPRX4RXRARXRBRXRG
SCHEMBL26162596 0.82 MRGPRX4 (0.76) MRGPRX4RXRARXRBRXRGMEN1
SCHEMBL14413112 0.82 PTGER1 (0.85) PTGER1MRGPRX4CYP2C9
SCHEMBL20910307 0.81 MGLL (0.65) PTGER1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL5096132 0.79 PTGER1 (1.00) PTGER1MRGPRX4RXRARXRBRXRG
SCHEMBL2020761 0.79 KMO (0.60) RXRARXRBNPC1RAB9ASMN1; SMN2
SCHEMBL22480793 0.77 MRGPRX4 (1.00) PTGER1MRGPRX4MEN1NPC1MITF
SCHEMBL8675260 0.77 PTGER1 (0.55) PTGER1MRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL1568099 0.76 MRGPRX4 (0.61) PTGER1MRGPRX4RXRARXRBNPC1

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-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 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-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG PTGER1 1680/4885MRGPRX4 85/4885RXRA 4515/4885

“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.