SCHEMBL6462571

SCHEMBL6462571

CCCCCOc1cc(C)cc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
ALOX15 P16050 1/20 0.53
PLA2G2A P14555 2/20 0.52
TSHR P16473 2/20 0.52
NR5A1 Q13285 1/20 0.48
LTA4H P09960 2/20 0.47
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
BLM P54132 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
GGPS1 O95749 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
PLA2G4B P0C869 1/20 0.42

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
SCHEMBL8728856 0.98 TP53 (0.51) TP53ALOX15PLA2G2ATSHRNR5A1
SCHEMBL1070543 0.98 TP53 (0.56) TP53ALOX15PLA2G2ATSHRNR5A1
SCHEMBL21388518 0.95 PLA2G2A (0.56) TP53ALOX15PLA2G2ATSHRNR5A1
SCHEMBL17835021 0.93 PLA2G2A (0.59) TP53ALOX15PLA2G2ATSHRNR5A1
SCHEMBL12550198 0.93 PLA2G2A (0.59) TP53ALOX15PLA2G2ATSHRNR5A1
SCHEMBL1071885 0.93 TP53 (0.50) TP53ALOX15PLA2G2ATSHRNR5A1
SCHEMBL14331832 0.88 PLA2G2A (0.48) TP53ALOX15PLA2G2ATSHRNR5A1
SCHEMBL12749081 0.88 TP53 (0.63) TP53ALOX15PLA2G2ATSHRALDH1A1
SCHEMBL8956013 0.86 TP53 (0.54) TP53ALOX15PLA2G2ATSHRNR5A1
SCHEMBL8778517 0.86 PLA2G2A (0.49) TP53ALOX15PLA2G2ATSHRNR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647610-B1 A process for manufacturing 5-hydroxyisophthalic acid SUMIKIN CHEMICAL (JP) 1998-08-19 EP claimed
US-5416256-A Process for manufacturing 5-hydroxyisophthalic acid SUMIKIN CHEMICAL CO., LTD. (JP) 1995-05-16 US claimed
EP-0647610-A1 A process for manufacturing 5-hydroxyisophthalic acid SUMIKIN CHEMICAL CO., LTD. (JP) 1995-04-12 EP claimed
JP-7109246-A None JP disclosed
EP-1495034-A2 MIMICS OF ACYL COENZYME-A COMPRISING PANTOLACTONE AND PANTOTHENIC ACID DERIVATIVES, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics, Inc. (US) 2005-01-12 EP disclosed
US-20030236213-A1 Mimics of acyl coenzyme-A comprising pantolactone and pantothenic acid derivatives, compositions thereof, and methods of cholesterol management and related uses ESPERION THERAPEUTICS 2003-12-25 US disclosed
WO-2003087040-A2 MIMICS OF ACYL COENZYME-A COMPRISING PANTOLACTONE AND PANTOTHENIC ACID DERIVATIVES, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2003-10-23 WO disclosed
EP-0647610-B1 A process for manufacturing 5-hydroxyisophthalic acid SUMIKIN CHEMICAL (JP) 1998-08-19 EP disclosed
US-5416256-A Process for manufacturing 5-hydroxyisophthalic acid SUMIKIN CHEMICAL CO., LTD. (JP) 1995-05-16 US disclosed
US-5416256-A Process for manufacturing 5-hydroxyisophthalic acid SUMIKIN CHEMICAL CO., LTD. (JP) 1995-05-16 US disclosed
JP-H07109246-A PRODUCTION OF 5-HYDROXYISOPHTHALIC ACID SUMIKIN CHEM CO LTD 1995-04-25 JP disclosed
EP-0647610-A1 A process for manufacturing 5-hydroxyisophthalic acid SUMIKIN CHEMICAL CO., LTD. (JP) 1995-04-12 EP disclosed
EP-0647610-A1 A process for manufacturing 5-hydroxyisophthalic acid SUMIKIN CHEMICAL CO., LTD. (JP) 1995-04-12 EP disclosed
US-4952721-A AIR OXIDATION WITH HEAVY METAL CATALYSTS AMOCO CORPORATION (US) 1990-08-28 US disclosed
US-4692546-A OXIDATION OF KETONE, MANGANESE CATIONS CELANESE CORPORATION (US) 1987-09-08 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-20030236213-A1 Mimics of acyl coenzyme-A comprising pantolactone and pantothenic acid derivatives, compositions thereof, and methods of cholesterol management and related uses COASY, HMGCR, ACACA TP53 791/4885ALOX15 247/4885PLA2G2A 903/4885

“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.