SCHEMBL6153385

SCHEMBL6153385

O=C(CC(O)CC(=O)OCc1ccc(Br)cc1)OCc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 1/20 0.46
MMP1 P03956 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
IDO1 P14902 1/20 0.42
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42
MAPK1 P28482 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL6154533 0.82 KMT2A (0.46) KMT2AKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL6156765 0.82 MEN1 (0.49) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL6153568 0.81 ALDH1A1 (0.63) KMT2AALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL19020082 0.81 MAPT (0.55) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL6154504 0.79 ALDH1A1 (0.51) KMT2AALDH1A1SMN1; SMN2MMP1L3MBTL1
SCHEMBL6154018 0.78 MMP12 (0.48) KMT2AMEN1MMP1IDO1MAOB
SCHEMBL28124128 0.78 MAPT (0.52) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL8593602 0.78 KMT2A (0.51) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL6153637 0.77 RAB9A (0.52) MAPTALDH1A1L3MBTL1IDO1MAPK1
SCHEMBL27957862 0.76 KMT2A (0.54) KMT2AKDM4EMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1555266-A1 REMEDIES OR PREVENTIVES FOR URINARY FREQUENCY OR URINARY INCONTINENCE AND MORPHINAN DERIVATIVES HAVING NITROGEN-CONTAINING HETEROCYCLIC GROUP TORAY INDUSTRIES, INC. (JP) 2005-07-20 EP disclosed
US-20050119341-A1 3-substituted oxyglutaric diester compound, optically active 3-substituted oxyglutaric monoester compound, and processes for producing these UBE INDUSTRIES, LTD. (JP) 2005-06-02 US disclosed
EP-1500642-A1 3-SUBSTITUTED OXYGLUTARIC DIESTER COMPOUND, OPTICALLY ACTIVE 3-SUBSTITUTED OXYGLUTARIC MONOESTER COMPOUND, AND PROCESSES FOR PRODUCING THESE Ube Industries, Ltd. (JP) 2005-01-26 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-20050119341-A1 3-substituted oxyglutaric diester compound, optically active 3-substituted oxyglutaric monoester compound, and processes for producing these OGDH, GLUL, ADSL KMT2A 2290/4885KDM4E 717/4885MAPT 3886/4885

“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.