SCHEMBL6734564

SCHEMBL6734564

COC(=O)C(=Cc1ccc(C(=O)OC)cc1)CBr

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
MAPT P10636 5/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PTPN1 P18031 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL6734560 1.00 ALDH1A1 (0.53) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6734561 1.00 ALDH1A1 (0.53) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1306293 0.87 ALDH1A1 (0.46) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1306294 0.87 ALDH1A1 (0.46) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6740625 0.84 KMT2A (0.51) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL6740629 0.84 KMT2A (0.51) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL6741190 0.84 KMT2A (0.51) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL3813626 0.84 NPC1 (0.52) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL20048294 0.83 GRIK1 (0.43) ALDH1A1KDM4E
SCHEMBL6299382 0.82 RECQL (0.53) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1

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
US-6686503-B2 SPLITITNG FROM SOLID SUPPORT; METHYLATION ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-02-03 US disclosed
US-20010041345-A1 Methods for the synthesis of highly substituted 2,4-dioxopiperidine libraries CHAI WENYING (US) 2001-11-15 US disclosed
US-6288235-B1 MULTISTAGE REACTION WITH AMIDATION, CLEAVAGE FROM RESIN SUPPORT AND METHYLATION THEN CONDENSATION OF METHYL ESTER TO GIVE 2,4-DIOXOPIPERIDINE COMPOUNDS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-09-11 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-20010041345-A1 Methods for the synthesis of highly substituted 2,4-dioxopiperidine libraries DHPS, DRD4, DRD2 ALDH1A1 857/4885GRIN2D 378/4885GRIN3B 1511/4885

“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.