SCHEMBL29784149

SCHEMBL29784149

O=C(O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.69
SRD5A2 P31213 2/20 0.66
RXRA P19793 2/20 0.62
RXRB P28702 2/20 0.62
AHR P35869 2/20 0.58
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
KMO O15229 2/20 0.58
SCN9A Q15858 1/20 0.56
ALOX15 P16050 1/20 0.52
BCL2L1 Q07817 1/20 0.52
BAD Q92934 1/20 0.52
LMNA P02545 1/20 0.52
HSD17B10 Q99714 1/20 0.52
EPHX2 P34913 1/20 0.51
RPA1 P27694 1/20 0.51
CYP1B1 Q16678 1/20 0.50

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
SCHEMBL2637495 1.00 TSHR (0.69) TSHRSRD5A2RXRARXRBAHR
SCHEMBL30784621 0.84 XDH (0.60) TSHRSRD5A2RXRARXRBKDM4E
SCHEMBL18688873 0.84 XDH (0.60) TSHRSRD5A2RXRARXRBKDM4E
SCHEMBL23484544 0.83 AHR (0.58) TSHRSRD5A2AHRKDM4EMEN1
SCHEMBL3540530 0.82 KMO (0.66) TSHRRXRARXRBAHRKDM4E
SCHEMBL8662676 0.82 ESR2 (0.61) TSHRSRD5A2RXRARXRBKDM4E
SCHEMBL3643412 0.82 RXRA (0.61) TSHRSRD5A2RXRARXRBKDM4E
SCHEMBL18530501 0.82 RXRA (0.56) TSHRSRD5A2RXRARXRBKDM4E
SCHEMBL8352471 0.82 TSHR (1.00) TSHRSRD5A2KDM4EMEN1NPC1
SCHEMBL371998 0.82 TSHR (1.00) TSHRSRD5A2KDM4EMEN1NPC1

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 TSHR 3028/4885SRD5A2 4796/4885RXRA 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.