SCHEMBL7598558

SCHEMBL7598558

CCC(=O)Cc1ccc(OC)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
EPHX2 P34913 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL31618757 0.86 LMNA (0.58) GAAALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL8373034 0.86 LMNA (0.58) GAAALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL10513612 0.83 GAA (0.71) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL969758 0.83 GAA (0.70) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL30094539 0.83 GAA (0.70) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL4082027 0.83 GAA (0.51) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL16930166 0.82 HDAC1 (0.56) GAAALDH1A1TDP1HPGDSMN1; SMN2
SCHEMBL12191688 0.82 L3MBTL1 (0.50) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL9724448 0.81 GAA (0.50) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL17653849 0.81 EPHX2 (0.52) GAAALDH1A1TSHRNFKB1TDP1

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
US-20020161007-A1 Non-steroidal modulators of estrogen receptors PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2002-10-31 US disclosed
WO-2002066415-A2 NON-STEROIDAL MODULATORS OF ESTROGEN RECEPTORS THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2002-08-29 WO 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-20020161007-A1 Non-steroidal modulators of estrogen receptors ESRRB, ESR2, ESRRG GAA 4402/4885ALDH1A1 2709/4885TSHR 600/4885

“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.