SCHEMBL2959433

SCHEMBL2959433

COC(=O)COc1ccc(C(C)C)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.57
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KDM4E B2RXH2 2/20 0.51
CARM1 Q86X55 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 2/20 0.48
ATM Q13315 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 1/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
PKM P14618 1/20 0.46
NPC1 O15118 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
SCHEMBL2950207 0.84 MCL1 (0.62) FKBP1ANPSR1RXFP1KDM4ECARM1
SCHEMBL584257 0.82 ATM (0.65) KDM4EALDH1A1HSD17B10MAPTATM
SCHEMBL28255143 0.82 ALDH1A1 (0.46) FKBP1AKDM4EALDH1A1HSD17B10MAPT
SCHEMBL5522283 0.80 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10MAPTATM
SCHEMBL8504163 0.78 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10MAPTKMT2A
SCHEMBL30876366 0.78 ALDH1A1 (0.53) KDM4EALDH1A1HSD17B10MAPTATM
SCHEMBL19317367 0.78 ALDH1A1 (0.53) KDM4EALDH1A1HSD17B10MAPTATM
SCHEMBL24456083 0.77 ALDH1A1 (0.52) KDM4EALDH1A1HSD17B10MAPTATM
SCHEMBL7329831 0.77 ALDH1A1 (0.52) KDM4EALDH1A1HSD17B10MAPTATM
SCHEMBL9945969 0.77 KDM4E (0.58) FKBP1AKDM4ECARM1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763656-B2 Use of Acetylamino benzoic acid compounds for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2010-07-27 US disclosed
US-20070203123-A1 Use of acetylamino benzoic acid compounds for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. 2007-08-30 US disclosed
US-7247741-B2 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2007-07-24 US disclosed
US-20060167263-A1 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. 2006-07-27 US disclosed
EP-1525185-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-04-27 EP disclosed
WO-2004009533-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. (US) 2004-01-29 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 (2 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-20060167263-A1 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease UPF1, NAT10, PABPC1 FKBP1A 1546/4885NPSR1 3207/4885RXFP1 3759/4885
US-20070203123-A1 Use of acetylamino benzoic acid compounds for nonsense suppression and the treatment of disease UPF1, NAT10, PABPC1 FKBP1A 1565/4885NPSR1 3343/4885RXFP1 3828/4885

“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.