SCHEMBL29784147

SCHEMBL29784147

COc1ccc(C)cc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
TPMT P51580 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
RARA P10276 1/20 0.53
RARB P10826 1/20 0.53
RARG P13631 1/20 0.53
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
RXRA P19793 2/20 0.50
HTT P42858 2/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXRB P28702 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
SCHEMBL22442401 1.00 CA12 (0.54) CA12CA1CA2CA4CA6
SCHEMBL14003510 0.87 ALDH1A1 (0.53) ALDH1A1HTTPTGDR2OXTRAVPR1A
SCHEMBL25125397 0.84 CA1 (0.58) CA12CA1CA2CA4CA6
SCHEMBL29788029 0.84 ALDH1A1 (0.63) CA12CA1CA2CA4CA6
SCHEMBL2039734 0.84 ALDH1A1 (0.63) CA12CA1CA2CA4CA6
SCHEMBL13212251 0.83 KDM4C (0.60) CA12CA1CA2CA4CA6
SCHEMBL14446041 0.82 ACHE (0.58) LMNAALDH1A1RAB9ASMN1; SMN2PTGDR2
SCHEMBL18708507 0.82 HSD17B10 (0.55) RARARARBRARGLMNAALDH1A1
SCHEMBL4350002 0.81 CTSA (0.54) CA12CA1CA2CA4CA6
SCHEMBL6248649 0.81 LMNA (0.59) CA12CA1CA2CA4CA6

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 CA12 4418/4885CA1 3979/4885CA2 1231/4885

“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.