SCHEMBL6735852

SCHEMBL6735852

C=C(C(=O)OC)C(O)c1ccc(C(=O)Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 5/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL6742611 0.85 MAPT (0.51) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL2002973 0.83 CYP1A2 (0.44) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL15965560 0.81 HPGD (0.44) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL24091708 0.80 RAB9A (0.49) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL20048220 0.80 HPGD (0.43) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL13204521 0.80 HPGD (0.65) HPGDMAPTKMT2AALDH1A1NPC1
SCHEMBL1692271 0.80 HPGD (0.65) HPGDMAPTKMT2AALDH1A1NPC1
SCHEMBL19118080 0.80 HPGD (0.65) HPGDMAPTKMT2AALDH1A1NPC1
SCHEMBL11938478 0.75 MEN1 (0.70) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL1280508 0.73 SLC6A3 (0.46) HPGDALDH1A1SMN1; SMN2LMNA

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 HPGD 1227/4885MAPT 4263/4885MEN1 1915/4885

“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.