SCHEMBL3725628

SCHEMBL3725628

CC(C)COc1ccc(CO)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.58
LMNA P02545 1/20 0.58
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 1/20 0.52
MAPT P10636 2/20 0.48
XBP1 P17861 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
MAPK10 P53779 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TTR P02766 1/20 0.45
CSNK2A1 P68400 4/20 0.45
XDH P47989 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
SCHEMBL16082293 0.85 LMNA (0.56) TP53LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11464129 0.85 LMNA (0.56) TP53LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3728081 0.83 LMNA (0.54) TP53LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2716370 0.83 NPC1 (0.52) TP53LMNAMEN1KMT2ANPC1
SCHEMBL3719661 0.81 GAA (0.45) TP53LMNAMEN1KMT2ANPC1
SCHEMBL3718539 0.81 RAB9A (0.56) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL580059 0.80 NPC1 (0.54) TP53LMNAMEN1KMT2ANPC1
SCHEMBL3722461 0.79 LMNA (0.50) TP53LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3722004 0.79 CSNK2A1 (0.70) TP53LMNAMEN1KMT2ANPC1
SCHEMBL9967704 0.79 KDM1A (0.56) TP53LMNASMN1; SMN2HPGDMAPT

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
WO-2010127212-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
US-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE SARMA PAKALA KUMARA SAVITHRU 2010-11-04 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-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE ACACA, ACACB, PC TP53 3221/4885LMNA 1525/4885MEN1 3540/4885

“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.