SCHEMBL1775145

SCHEMBL1775145

COC(=O)c1ccc(C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.87
ALDH1A1 P00352 4/20 0.70
LMNA P02545 1/20 0.70
MAPT P10636 4/20 0.67
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA12 O43570 2/20 0.59
CA9 Q16790 2/20 0.59
CA14 Q9ULX7 2/20 0.59
SRD5A2 P31213 1/20 0.59
CA7 P43166 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TSHR P16473 1/20 0.56
NPC1 O15118 1/20 0.56
HPGD P15428 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.52

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
4-Methylbenzoic Acid Methyl Ester SCHEMBL10539663 0.93 TDP1 (1.00) TDP1ALDH1A1LMNAMAPTCA1
4-Methylbenzoic Acid Methyl Ester SCHEMBL137891 0.93 TDP1 (1.00) TDP1ALDH1A1LMNAMAPTCA1
SCHEMBL2337244 0.91 CA1 (0.70) TDP1ALDH1A1LMNAMAPTCA1
4-Methylbenzoic Acid Methyl Ester SCHEMBL27908435 0.89 TDP1 (0.91) TDP1ALDH1A1LMNAMAPTCA1
4-Methylbenzoic Acid Methyl Ester SCHEMBL7159509 0.89 TDP1 (0.91) TDP1ALDH1A1LMNAMAPTCA1
SCHEMBL13019491 0.87 TDP1 (0.87) TDP1ALDH1A1MAPTCA1CA2
SCHEMBL16604879 0.87 TDP1 (0.87) TDP1ALDH1A1MAPTCA1CA2
SCHEMBL2275652 0.87 TDP1 (0.87) TDP1ALDH1A1MAPTCA1CA2
4-Methylbenzoic Acid Methyl Ester SCHEMBL28736599 0.87 TDP1 (0.87) TDP1ALDH1A1LMNAMAPTCA1
SCHEMBL10506033 0.85 TDP1 (0.63) TDP1ALDH1A1LMNAMAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
EP-0888389-B1 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS SURMODICS INC (US) 2004-08-04 EP disclosed
EP-0888389-A4 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS SURMODICS INC (US) 2001-03-14 EP disclosed
EP-0809490-A4 USE OF LCK SH2 SPECIFIC COMPOUNDS TO TREAT AUTOIMMUNE DISEASES AND ALLOGRAFT REJECTION SMITHKLINE BEECHAM CORP (US) 1999-10-20 EP disclosed
EP-0871436-A4 USE OF Stat 6 SH2 DOMAIN SPECIFIC COMPOUNDS TO TREAT ALLERGIC REACTIONS SMITHKLINE BEECHAM CORP (US) 1999-10-20 EP disclosed
EP-0835104-A4 USE OF STAT 5 SH2 DOMAIN SPECIFIC COMPOUNDS TO ENHANCE ERYTHROPOIESIS SMITHKLINE BEECHAM CORP (US) 1999-10-20 EP disclosed
US-5942555-A Photoactivatable chain transfer agents and semi-telechelic photoactivatable polymers prepared therefrom SURMODICS, INC. (US) 1999-08-24 US disclosed
EP-0888389-A1 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS SurModics, Inc. (US) 1999-01-07 EP disclosed
EP-0871436-A1 USE OF Stat 6 SH2 DOMAIN SPECIFIC COMPOUNDS TO TREAT ALLERGIC REACTIONS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-21 EP disclosed
EP-0835104-A1 USE OF STAT 5 SH2 DOMAIN SPECIFIC COMPOUNDS TO ENHANCE ERYTHROPOIESIS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-15 EP disclosed
EP-0809490-A1 USE OF LCK SH2 SPECIFIC COMPOUNDS TO TREAT AUTOIMMUNE DISEASES AND ALLOGRAFT REJECTION SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1997034935-A1 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS BSI CORPORATION (US) 1997-09-25 WO disclosed
WO-1997002023-A1 USE OF Stat 6 SH2 DOMAIN SPECIFIC COMPOUNDS TO TREAT ALLERGIC REACTIONS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-23 WO disclosed
WO-1997002024-A1 USE OF STAT 5 SH2 DOMAIN SPECIFIC COMPOUNDS TO ENHANCE ERYTHROPOIESIS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-23 WO disclosed
EP-0728482-A2 Use of hcp specific compounds to enhance erythropoiesis SMITHKLINE BEECHAM CORPORATION (US) 1996-08-28 EP disclosed
EP-0727211-A1 Use of src SH2 specific compounds to treat a bone resorption disease SMITHKLINE BEECHAM CORPORATION (US) 1996-08-21 EP disclosed
WO-1996024343-A1 USE OF LCK SH2 SPECIFIC COMPOUNDS TO TREAT AUTOIMMUNE DISEASES AND ALLOGRAFT REJECTION SMITHKLINE BEECHAM CORPORATION (US) 1996-08-15 WO disclosed
EP-0085959-B1 AROMATIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1989-04-19 EP disclosed
EP-0085959-A2 Aromatic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1983-08-17 EP disclosed
US-4040923-A COATINGS, MOLDINGS EASTMAN KODAK COMPANY (US) 1977-08-09 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 (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-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof GIPR, PGC, DDC TDP1 3037/4885ALDH1A1 244/4885LMNA 1453/4885

“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.