SCHEMBL4597544

SCHEMBL4597544

CCOCCOCCOc1nc(-c2ccc(C(=O)O)cc2)sc1C

nearest known ligand 0.98

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.98
RARG P13631 5/20 0.98
RARA P10276 4/20 0.98
HRH3 Q9Y5N1 5/20 0.47
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL4190212 0.93 RARB (1.00) RARBRARGRARAHRH3KDM4E
SCHEMBL4188775 0.91 RARB (1.00) RARBRARGRARAHRH3
SCHEMBL4190297 0.91 RARB (0.83) RARBRARGRARAHRH3KDM4E
SCHEMBL23016677 0.77 RARB (0.78) RARBRARGRARAHRH3MAPT
SCHEMBL4598579 0.77 RARB (1.00) RARBRARGRARAHRH3MEN1
SCHEMBL9628652 0.76 RARB (0.62) RARBRARGRARAHRH3KDM4E
SCHEMBL4196901 0.75 RARB (0.92) RARBRARGRARAHRH3KDM4E
SCHEMBL4178994 0.74 RARB (0.66) RARBRARGRARAHRH3KDM4E
SCHEMBL9485108 0.74 RARB (0.81) RARBRARGRARAALDH1A1
SCHEMBL4190671 0.73 RARB (1.00) RARBRARGRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220296579-A1 COMPOSITIONS AND METHODS FOR PROVIDING CARDIOPROTECTIVE EFFECTS CORNELL UNIVERSITY (US) 2022-09-22 US disclosed
US-11191755-B2 Compositions and methods for providing cardioprotective effects CORNELL UNIVERSITY (US) 2021-12-07 US disclosed
US-11160769-B2 Methods of treating metabolic syndrome related conditions using retinoic acid receptor agonists CORNELL UNIVERSITY (US) 2021-11-02 US disclosed
US-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS SONY CORPORATION (JP) 2009-07-09 US disclosed
US-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS SONY CORPORATION (JP) 2009-07-09 US disclosed
EP-1907347-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS Arcadia Pharmaceuticals Inc. (US) 2008-04-09 EP disclosed
WO-2007009083-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2007-01-18 WO disclosed
WO-2007009083-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2007-01-18 WO 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 (4 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-20220296579-A1 COMPOSITIONS AND METHODS FOR PROVIDING CARDIOPROTECTIVE EFFECTS RARB, RARG, RARA RARB 1/4885RARG 2/4885RARA 3/4885
US-11191755-B2 Compositions and methods for providing cardioprotective effects RARB, RARG, RARA RARB 1/4885RARG 2/4885RARA 3/4885
US-11160769-B2 Methods of treating metabolic syndrome related conditions using retinoic acid receptor agonists RARA, RARG, RXRA RARB 5/4885RARG 2/4885RARA 1/4885
US-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS RARB, RARA, RARG RARB 1/4885RARG 3/4885RARA 2/4885

“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.