SCHEMBL5527403

SCHEMBL5527403

CC(C)Oc1ccc(C(=O)C(Br)c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
PARP10 Q53GL7 1/20 0.45
TRPV1 Q8NER1 3/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PDE2A O00408 1/20 0.40
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL11566750 0.89 KMT2A (0.58) KMT2APARP10MAPTNPSR1ALDH1A1
SCHEMBL3102478 0.83 ALDH1A1 (0.53) KMT2APARP10MAPTNPSR1ALDH1A1
SCHEMBL21780928 0.83 KMT2A (0.51) KMT2APARP10MAPTNPSR1ALDH1A1
SCHEMBL7147113 0.81 NPC1 (0.44) KMT2ATRPV1NPC1RAB9AMEN1
Bromide SCHEMBL6279968 0.80 ABL1 (0.43) KMT2ATRPV1NPC1RAB9AMEN1
SCHEMBL16722770 0.79 TRPV1 (0.47) TRPV1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL27666272 0.78 ALDH1A1 (0.41) KMT2APARP10TRPV1NPSR1ALDH1A1
SCHEMBL13111204 0.77 PDE2A (0.49) KMT2APARP10MAPTALDH1A1PDE2A
SCHEMBL10935565 0.76 TRPV1 (0.49) TRPV1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL7470489 0.75 EPHX2 (0.47) KMT2AALDH1A1PDE2AMEN1EPHX2

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-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
EP-1748993-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
WO-2005116000-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 WO 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-20070203155-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD KMT2A 3698/4885PARP10 1634/4885TRPV1 530/4885

“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.