SCHEMBL5646596

SCHEMBL5646596

Cc1cc(C=O)cc(C=O)c1O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 9/20 0.56
▸ SRC P12931 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2B6 P20813 1/20 0.44
▸ EEF2K O00418 1/20 0.41
▸ PTGS1 P23219 3/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ ALOX5 P09917 2/20 0.39
▸ TTR P02766 1/20 0.39

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
SCHEMBL143965 0.86 CYP2C9 (0.56) ERN1SRCCYP2C9CYP1A2CYP3A4
SCHEMBL1488401 0.84 ERN1 (0.61) ERN1PTGS2
SCHEMBL29957335 0.80 ERN1 (0.78) ERN1SRCPTGS1PTGS2ALOX5
SCHEMBL29459683 0.80 EGFR (0.53) ERN1SRCCYP2C9CYP1A2CYP3A4
SCHEMBL2788053 0.80 ERN1 (0.78) ERN1SRCPTGS1PTGS2ALOX5
SCHEMBL299751 0.80 EGFR (0.53) ERN1SRCCYP2C9CYP1A2CYP3A4
SCHEMBL11408969 0.78 ERN1 (0.75) ERN1SRCPTGS1PTGS2ALOX5
SCHEMBL6740604 0.78 ERN1 (0.45) ERN1SRCCYP2C9CYP1A2CYP3A4
SCHEMBL1527073 0.77 XDH (0.52) ERN1PTGS2
SCHEMBL118849 0.77 ERN1 (0.64) ERN1PTGS1PTGS2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150589-A1 IRE-1A INHIBITORS MannKind Corporation (US) 2017-04-05 — — EP disclosed
US-9546149-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-01-17 — — US disclosed
US-20160168116-A1 IRE-1alpha Inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2016-06-16 — — US disclosed
US-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 — — US disclosed
EP-1631562-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS Pharmacia Corporation (US) 2006-03-08 — — EP disclosed
EP-1615905-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS Pharmacia Corporation (US) 2006-01-18 — — EP disclosed
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions CARTER JEFFERY (US) 2005-07-07 — — US disclosed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 — — US disclosed
WO-2004087687-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS PHARMACIA CORPORATION (US) 2004-10-14 — — WO disclosed
WO-2004087686-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS PHARMACIA CORPORATION (US) 2004-10-14 — — 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 (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-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions PTGES2, PTGER2, PTGS2 ERN1 2661/4885SRC 2880/4885CYP2C9 583/4885
US-20160168116-A1 IRE-1alpha Inhibitors XBP1, DDIT3, ERN1 ERN1 3/4885SRC 4660/4885CYP2C9 3995/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES ERN1 3395/4885SRC 2302/4885CYP2C9 398/4885

“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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