SCHEMBL5766596

SCHEMBL5766596

CC(C)(C)c1cc(O)c(C(=O)O)c(CCl)c1O[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
TNFRSF1A P19438 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30
JUN P05412 1/20 0.30

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
SCHEMBL5766157 0.84 ALDH1A1 (0.32) ALDH1A1TNFRSF1A
SCHEMBL5766593 0.78 RXRA (0.34) GAAKDM4ERXRARXRBRXRG
SCHEMBL1651927 0.69 CA1 (0.46) ALDH1A1GAAKDM4ETNFRSF1ACYP2C19
SCHEMBL8701143 0.67 ALDH1A1 (0.32) ALDH1A1GAA
SCHEMBL5232516 0.66 MAPT (0.37) GAARXRARXRBRXRGTNFRSF1A
SCHEMBL25288785 0.63 KDM4E (0.34) KDM4ERARARARBRARGTNFRSF1A
SCHEMBL5236562 0.63 CA1 (0.40) ALDH1A1GAAKDM4ERARARARB
SCHEMBL5235408 0.63 RXRA (0.31) RXRARXRBRXRG
SCHEMBL19194020 0.62 GLRA3 (0.68) GLRA3GLRBALDH1A1GAAKDM4E
SCHEMBL10848334 0.61

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315732-B1 RADICICOL AND MONOCILLIN AND THEIR ANALOGUES AND USES THEREOF SLOAN KETTERING INST CANCER (US) 2006-06-07 EP disclosed
US-20020091151-A1 Novel macrocycles and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2002-07-11 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-20020091151-A1 Novel macrocycles and uses thereof ABCE1, DCK, BDKRB1 GLRA3 502/4885GLRB 300/4885ALDH1A1 1572/4885

“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.