SCHEMBL6446114

SCHEMBL6446114

COC(=O)Cc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KLK7 P49862 4/20 0.55
POLB P06746 2/20 0.55
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
LTA4H P09960 1/20 0.54
EPHX2 P34913 1/20 0.54
CNR2 P34972 1/20 0.52
MMP9 P14780 1/20 0.52
LMNA P02545 1/20 0.52
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
PTGS2 P35354 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
SCHEMBL191324 0.91 CYP4F2 (0.63) KMT2AMAPTALDH1A1NPC1RAB9A
SCHEMBL19068062 0.86 MAPT (0.58) KMT2AMAPTALDH1A1NPC1RAB9A
SCHEMBL6295262 0.85 NPC1 (0.70) KMT2AMAPTALDH1A1NPC1RAB9A
SCHEMBL12440458 0.85 P2RX3 (0.58) ALDH1A1LTA4HEPHX2LMNA
SCHEMBL3192546 0.84 SRD5A2 (0.58) KMT2AALDH1A1NPC1KLK7CYP4F2
SCHEMBL31324190 0.83 MAPT (0.63) KMT2AMAPTALDH1A1KLK7POLB
SCHEMBL7558146 0.83 KMT2A (0.56) KMT2AALDH1A1NPC1RAB9AKLK7
SCHEMBL5924358 0.83 CYP4F2 (0.54) KMT2AALDH1A1NPC1RAB9AKLK7
SCHEMBL2367221 0.82 POLB (0.56) KMT2AMAPTALDH1A1NPC1RAB9A
SCHEMBL16870234 0.81 CYP4F2 (0.53) ALDH1A1NPC1RAB9ACYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226128-B1 NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS HOFFMANN LA ROCHE (CH) 2005-02-23 EP disclosed
US-6716845-B2 Barbituric acid derivatives HOFFMANN-LA ROCHE INC. 2004-04-06 US disclosed
EP-1383746-A2 NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-28 EP disclosed
US-6498252-B1 Pyrimidine-2,4,6-trione derivatives, processes for their production and pharmaceutical agents containing these compounds HOFFMANN-LA ROCHE INC. 2002-12-24 US disclosed
US-20020187991-A1 Barbituric acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-12-12 US disclosed
WO-2002079170-A2 PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THEM F. HOFFMANN-LA ROCHE AG (CH) 2002-10-10 WO disclosed
EP-1226128-A1 NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-31 EP disclosed
WO-2001025217-A1 NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-12 WO disclosed
US-4168385-A LOWERING OF STEROL AND TRIGLYCERIDE SERUM LEVELS AMERICAN CYANAMID COMPANY (US) 1979-09-18 US disclosed
US-4125729-A Hypolipemic α-aryloxy para substituted phenyl acetic acid compounds AMERICAN CYANAMID COMPANY (US) 1978-11-14 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-20020187991-A1 Barbituric acid derivatives GABBR1, GABBR2, TUBB6 KMT2A 3474/4885MAPT 2414/4885ALDH1A1 159/4885

“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.