SCHEMBL1898028

SCHEMBL1898028

COC(=O)c1ccc([NH])c(O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.69
▸ CA2 P00918 6/20 0.69
▸ CA12 O43570 5/20 0.69
▸ CA7 P43166 5/20 0.69
▸ CA9 Q16790 5/20 0.69
▸ CA14 Q9ULX7 5/20 0.69
▸ XDH P47989 2/20 0.69
▸ KDM4E B2RXH2 3/20 0.57
▸ LMNA P02545 3/20 0.57
▸ GAA P10253 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ GFER P55789 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ FUT7 Q11130 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ MAPT P10636 3/20 0.56
▸ HPGD P15428 3/20 0.56

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
SCHEMBL15099889 0.82 CA1 (0.77) CA1CA2CA12CA7CA9
Methyl Protocatechuate SCHEMBL38624 0.82 CA1 (1.00) CA1CA2CA12CA7CA9
Methyl Protocatechuate SCHEMBL29360855 0.82 CA1 (1.00) CA1CA2CA12CA7CA9
SCHEMBL7927352 0.81 TDP1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL7933008 0.79 MAPT (0.62) CA1CA2CA12CA7CA9
SCHEMBL11872904 0.79 ALDH1A1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL29501115 0.78 CA12 (0.71) CA1CA2CA12CA7CA9
SCHEMBL162631 0.78 CA12 (0.71) CA1CA2CA12CA7CA9
SCHEMBL30809635 0.78 CA1 (0.71) CA1CA2CA12CA7CA9
SCHEMBL197972 0.78 CA1 (0.71) CA1CA2CA12CA7CA9

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091745-B1 TREATMENT OF HYPERPROLIFERATIVE DISORDERS CHILDREN S HOSPITAL LOS ANGELE (US) 2008-10-01 — — EP claimed
EP-2669267-B1 Compositions and methods for treating hyperproliferative disorders TEXAS TECH UNIV (US) 2018-01-10 — — EP disclosed
EP-1594544-B1 ORAL COMPOSITIONS OF FENRETINIDE HAVING INCREASED BIOAVAILABILITY AND METHODS OF USING THE SAME LOS ANGELES CHILDRENS HOSPITAL (US) 2016-04-06 — — EP disclosed
US-9050294-B2 Treatment of neural diseases or conditions ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-06-09 — — US disclosed
EP-2244702-B1 TREATMENT OF NEURAL DISEASES OR CONDITIONS UNIV MCGILL (CA) 2014-09-17 — — EP disclosed
US-20140113973-A1 TREATMENT OF NEURAL DISEASES OR CONDITIONS ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2014-04-24 — — US disclosed
US-8642658-B2 Treatment of neural diseases or conditions ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2014-02-04 — — US disclosed
EP-2669267-A1 Compositions and methods for treating hyperproliferative disorders TEXAS TECH UNIVERSITY (US) 2013-12-04 — — EP disclosed
US-20130217691-A1 Compositions and Methods for Treating Hyperproliferative Disorders TEXAS TECH UNIVERSITY SYSTEM (US) 2013-08-22 — — US disclosed
EP-2501672-A2 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISORDERS TEXAS TECH UNIVERSITY (US) 2012-09-26 — — EP disclosed
WO-2002058689-A1 PHARMACEUTICAL COMPOSITIONS OF FENRETINIDE HAVING INCREASED BIOAVAILABILITY AND METHODS OF USING THE SAME CHILDRENS HOSPITAL LOS ANGELES (US) 2002-08-01 — — WO disclosed
US-6368831-B1 ANTIPROLIFERATION AGENTS CHILDRENS HOSPITAL LOS ANGELES 2002-04-09 — — US disclosed
US-6352844-B1 CERAMIDE GENERATING RETINOIDS AND INHIBITORS OF TUMORS CHILDRENS HOSPITAL LOS ANGELES 2002-03-05 — — US disclosed
WO-2001047513-A1 TREATMENT OF HYPERPROLIFERATIVE DISORDERS CHILDRENS HOSPITAL LOS ANGELES RESEARCH INSTITUTE (US) 2001-07-05 — — WO disclosed
EP-1091745-A1 TREATMENT OF HYPERPROLIFERATIVE DISORDERS CHILDREN'S HOSPITAL OF LOS ANGELES (US) 2001-04-18 — — EP disclosed
WO-2001007914-A1 FENRETINIDE INCREASES ANTIBODY CELLULAR TOXICITY CHILDRENS HOSPITAL LOS ANGELES RESEARCH INSTITUTE (US) 2001-02-01 — — WO disclosed
WO-2000000207-A9 TREATMENT OF HYPERPROLIFERATIVE DISORDERS LOS ANGELES CHILDRENS HOSPITAL (US) 2000-05-18 — — WO disclosed
WO-2000000207-A1 TREATMENT OF HYPERPROLIFERATIVE DISORDERS CHILDREN'S HOSPITAL OF LOS ANGELES (US) 2000-01-06 — — WO disclosed
US-4190594-A ABSORBERS OF ULTRAVIOLET RADIATION JOHNSON & JOHNSON (US) 1980-02-26 — — US disclosed
US-4108880-A ULTRAVIOLET ABSORBERS JOHNSON & JOHNSON (US) 1978-08-22 — — 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 (2 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-20140113973-A1 TREATMENT OF NEURAL DISEASES OR CONDITIONS RARB, RARA, RARG CA1 734/4885CA2 2880/4885CA12 1109/4885
US-20130217691-A1 Compositions and Methods for Treating Hyperproliferative Disorders SGMS1, S1PR1, SPHK1 CA1 2999/4885CA2 2422/4885CA12 2518/4885

“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.

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