SCHEMBL8775647

SCHEMBL8775647

Cc1ccc(C(=O)CC(C)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 4/20 0.58
LMNA P02545 3/20 0.58
POLB P06746 3/20 0.55
MEN1 O00255 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
GSK3B P49841 1/20 0.52
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
TSHR P16473 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL11193124 0.85 KMT2A (0.51) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL135355 0.84 L3MBTL1 (0.66) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL19642670 0.84 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL8306301 0.83 POLB (0.64) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL11193120 0.83 GSK3B (0.50) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL11161484 0.83 KMT2A (0.57) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL4686815 0.83 MEN1 (0.54) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL8381423 0.83 POLB (0.47) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL507140 0.82 GSK3B (0.57) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL21470081 0.82 GSK3B (0.57) ALDH1A1KMT2AMAPTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9143104-A None JP disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
WO-2007111994-A2 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2007-10-04 WO disclosed
EP-0496555-B1 Corrosion-inhibiting coating compositions CIBA GEIGY AG (CH) 1997-11-19 EP disclosed
JP-H09143104-A PRODUCTION OF 2,6-DIMETHYLNAPHTHALENE AND 2,7-DIMETHYLNAPHTHALENE, AND PRODUCTION OF THEIR INTERMEDIATE COSMO SOGO KENKYUSHO:KK 1997-06-03 JP disclosed
US-5277709-A Film forming binder and corrosion inhibitor CIBA-GEIGY CORPORATION (US) 1994-01-11 US disclosed
EP-0496555-A2 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1992-07-29 EP 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-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS NR1H3, NR1H2, SREBF1 ALDH1A1 4054/4885KMT2A 4362/4885MAPT 577/4885

“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.