SCHEMBL7636675

SCHEMBL7636675

CCOc1cccc(OCc2ccccc2)c1OC(=O)CC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.57
HTR1A P08908 2/20 0.54
ADRA1D P25100 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
BRD4 O60885 1/20 0.47
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LIPE Q05469 1/20 0.45
PTGER1 P34995 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL7641375 0.90 NPC1 (0.53) MRGPRX4HTR1AADRA1DADRA1AADRA1B
SCHEMBL288436 0.89 MAPT (0.46) MRGPRX4HTR1AADRA1DADRA1AADRA1B
SCHEMBL5339466 0.89 PTPN1 (0.56) MRGPRX4HTR1AADRA1DADRA1AADRA1B
SCHEMBL5345373 0.87 HTR1A (0.51) MRGPRX4HTR1AADRA1DADRA1AADRA1B
SCHEMBL7195121 0.87 KDM4E (0.52) MRGPRX4HTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL29175079 0.85 MAPT (0.45) MRGPRX4HTR1AADRA1DADRA1AADRA1B
SCHEMBL15558253 0.85 L3MBTL1 (0.46) MRGPRX4L3MBTL1MAPTMAPK1KDM4E
SCHEMBL3804975 0.83 NPC1 (0.54) MRGPRX4HTR1AADRA1DADRA1AADRA1B
SCHEMBL6055987 0.82 ALDH1A1 (0.47) L3MBTL1MAPTMAPK1LMNAGLA
SCHEMBL7617609 0.81 ALDH1A1 (0.46) L3MBTL1MAPTMAPK1LMNAGLA

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-20020177726-A1 Process for the preparation of 3-aryl-2-hydroxy propanoic acid DR. REDDY'S RESEARCH FOUNDATION 2002-11-28 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-20020177726-A1 Process for the preparation of 3-aryl-2-hydroxy propanoic acid HPD, HAO1, HAAO MRGPRX4 3595/4885HTR1A 169/4885ADRA1D 183/4885

“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.