SCHEMBL5481142

SCHEMBL5481142

COC(=O)c1ccc(C23CC4CC(c5ccc(C(=O)O)cc5)(C2)CC(c2ccc(C(=O)OC)cc2)(C4)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.47
TSHR P16473 1/20 0.43
EPHX2 P34913 1/20 0.43
EPAS1 Q99814 2/20 0.42
MDH1 P40925 2/20 0.42
MDH2 P40926 2/20 0.42
EP300 Q09472 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PGR P06401 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL5141270 1.00 HIF1A (0.47) HIF1ATSHREPHX2EPAS1MDH1
SCHEMBL5081782 0.94 HIF1A (0.51) HIF1ATSHREPHX2EPAS1MDH1
SCHEMBL5563784 0.92 HIF1A (0.51) HIF1AEPHX2EPAS1MDH1MDH2
SCHEMBL5470752 0.89 TSHR (0.50) TSHRCA1CA2TDP1CA12
SCHEMBL5480370 0.89 TSHR (0.50) TSHRCA1CA2TDP1CA12
SCHEMBL5478519 0.89 TSHR (0.50) TSHRCA1CA2TDP1CA12
SCHEMBL5084601 0.87 TSHR (0.46) HIF1ATSHREPHX2EPAS1CA1
SCHEMBL5568166 0.85 HIF1A (0.55) HIF1AEPHX2EPAS1MDH1MDH2
SCHEMBL5568183 0.83 GRIN2D (0.44) TSHRPGRALDH1A1GRIN2B
SCHEMBL5080982 0.82 CA1 (0.55) TSHRCA1CA2TDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078256-A1 Prepolymers, prepolymer compositions, high-molecular-weight polymers with pore structure, and dielectric films DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-05 US disclosed
US-7186454-B2 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-06 US disclosed
US-20070032556-A1 Aromatic polyamine derivative DAICEL CHEMICAL INSUSTRIES, LTD. (JP) 2007-02-08 US disclosed
US-20060264667-A1 Adamantanetricarboxylic acid derivatives NAGANO SHINYA 2006-11-23 US disclosed
US-7102027-B2 Adamantanetricarboxylic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-05 US disclosed
EP-1683822-A1 PREPOLYMER, PREPOLYMER COMPOSITION, HIGH MOLECULAR WEIGHT POLYMER HAVING STRUCTURE CONTAINING HOLE AND ELECTRICALLY INSULATING FILM Daicel Chemical Industries, Ltd. (JP) 2006-07-26 EP disclosed
EP-1681284-A1 AROMATIC POLYAMINE DERIVATIVE Daicel Chemical Industries, Ltd. (JP) 2006-07-19 EP disclosed
US-20040242923-A1 Adamantanetricarboxylic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-02 US disclosed
US-20040175858-A1 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-09 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 (3 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-20040242923-A1 Adamantanetricarboxylic acid derivatives HCAR1, CA1, ALDH7A1 HIF1A 86/4885TSHR 2353/4885EPHX2 1271/4885
US-20070032556-A1 Aromatic polyamine derivative SRM, PRMT1, KDM8 HIF1A 698/4885TSHR 1167/4885EPHX2 1144/4885
US-20060264667-A1 Adamantanetricarboxylic acid derivatives CA1, HCAR1, ALDH7A1 HIF1A 122/4885TSHR 2048/4885EPHX2 1405/4885

“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.