SCHEMBL19088582

SCHEMBL19088582

Cc1ccc(-c2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.55
MCL1 Q07820 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PIK3CD O00329 1/20 0.52
ABL1 P00519 1/20 0.52
HCK P08631 1/20 0.52
SRC P12931 1/20 0.52
KDR P35968 1/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52
MTOR P42345 1/20 0.52
PIK3CG P48736 1/20 0.52
EPHB4 P54760 1/20 0.52
PRKDC P78527 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
PTPN1 P18031 2/20 0.47
RXRA P19793 1/20 0.46

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
SCHEMBL28014706 0.82 RXRA (0.66) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL14228414 0.82 MAPT (0.56) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL12303132 0.81 KDM4E (0.60) MAPTTDP1L3MBTL1SMN1; SMN2
SCHEMBL12667384 0.81 MRGPRX4 (0.60) MRGPRX4MCL1MAPTMAPK1TDP1
SCHEMBL25081934 0.81 MAPT (0.64) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL2912541 0.81 MAPT (0.55) MCL1MAPTMAPK1TDP1L3MBTL1
SCHEMBL19286354 0.81 ALOX5 (0.58) MAPTMAPK1TDP1L3MBTL1SMN1; SMN2
SCHEMBL5889698 0.80 CDK4 (0.60) MRGPRX4MCL1MAPTMAPK1TDP1
SCHEMBL5889696 0.80 CDK4 (0.60) MRGPRX4MCL1MAPTMAPK1TDP1
SCHEMBL19078684 0.80 RXRA (0.49) MRGPRX4MCL1MAPTMAPK1TDP1

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-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 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-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, FAAH, FAAH2 MRGPRX4 256/4885MCL1 523/4885MAPT 4504/4885

“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.