SCHEMBL3226989

SCHEMBL3226989

O=C(O)CCn1c(=O)ccc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
FABP4 P15090 2/20 0.57
FABP5 Q01469 2/20 0.57
FABP3 P05413 1/20 0.57
KDM4E B2RXH2 2/20 0.56
APEX1 P27695 1/20 0.56
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 1/20 0.51
CMA1 P23946 2/20 0.51
KMO O15229 1/20 0.50
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 1/20 0.49
BRD4 O60885 1/20 0.49
BRPF1 P55201 1/20 0.49
CA9 Q16790 1/20 0.49
KAT2B Q92831 1/20 0.49
BRD9 Q9H8M2 1/20 0.49

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
SCHEMBL11296052 0.90 FABP4 (0.59) ALDH1A1FABP4FABP5FABP3KDM4E
SCHEMBL4304286 0.83 APEX1 (0.59) ALDH1A1KDM4EAPEX1L3MBTL1KMT2A
SCHEMBL585623 0.81 CA12 (0.53) ALDH1A1KDM4EMAPTLMNAKMT2A
SCHEMBL3410183 0.80 KMO (0.56) ALDH1A1FABP4FABP5FABP3KDM4E
SCHEMBL3218538 0.80 KDM4E (0.46) ALDH1A1FABP4FABP5FABP3KDM4E
SCHEMBL3229548 0.79 ALDH1A1 (0.51) ALDH1A1KDM4ECA12BRD4BRPF1
SCHEMBL5659862 0.78 CA12 (0.50) ALDH1A1KMT2ACA12BRD4BRPF1
SCHEMBL29941844 0.77 CA12 (0.58) ALDH1A1KDM4EHTTL3MBTL1MAPT
SCHEMBL1807117 0.77 CA12 (0.53) ALDH1A1MAPTLMNAKMT2ACA12
SCHEMBL1052103 0.77 CA12 (0.58) ALDH1A1KDM4EHTTL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 US disclosed
EP-0017477-B1 SPIRO-QUINOLONE HYDANTOINS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION PFIZER INC. (US) 1982-01-06 EP disclosed
EP-0017477-A1 Spiro-quinolone hydantoins, pharmaceutical compositions containing them, and processes for their preparation PFIZER INC. (US) 1980-10-15 EP disclosed
US-4193996-A ALDOSE REDUCTASE INHIBITORS, THERAPEUTICS FOR DIABETES COMPLICATIONS PFIZER INC. (US) 1980-03-18 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-20100056502-A1 COMPOUNDS NRDC, NACA, NAA50 ALDH1A1 4233/4885FABP4 3771/4885FABP5 2942/4885

“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.