SCHEMBL6093843

SCHEMBL6093843

CCOC(=O)C1C(=O)c2cc(C(F)(F)F)ccc2OC1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
ELANE P08246 1/20 0.38
KCNN4 O15554 1/20 0.37
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
ADORA2B P29275 1/20 0.35
LMNA P02545 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35

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
SCHEMBL6094986 0.83 ALDH1A1 (0.49) CYP3A4CYP2C19CYP2C9CYP1A2ALDH1A1
SCHEMBL11112299 0.73 ALDH1A1 (0.51) CYP3A4CYP2C19CYP2C9CYP1A2ALDH1A1
SCHEMBL14046008 0.68 MAPT (0.38) CYP3A4CYP2C19CYP2C9CYP1A2PTGS1
SCHEMBL31137134 0.68 LMNA (0.43) KCNN4CYP2C19CYP2C9ALDH1A1GAA
SCHEMBL28474714 0.68 TSHR (0.46) CYP2C19CYP2C9CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL28478153 0.68 TSHR (0.48) CYP2C19CYP1A2ALDH1A1SMN1; SMN2GAA
SCHEMBL11108113 0.68 POLB (0.39) CYP3A4KCNN4CYP2C19CYP2C9CYP1A2
SCHEMBL11105058 0.67 CYP1A2 (0.42) KCNN4CYP2C9CYP1A2ALDH1A1POLB
SCHEMBL7818136 0.67 ALDH1A1 (0.57) CYP3A4CYP2C19CYP2C9ALDH1A1KDM4E
SCHEMBL538597 0.67 HSD17B10 (0.44) CYP3A4CYP2C19CYP2C9CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138411-B2 Substituted benzopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. (US) 2006-11-21 US disclosed
US-7109211-B2 Substituted benzopyran derivatives for the treatment of inflammation PHARMACIA CORPORATION (OF PFIZER, INC.) (US) 2006-09-19 US disclosed
US-20050049252-A1 Substituted benzopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. (US) 2005-03-03 US disclosed
US-20040127539-A1 Antiangiogenic combination therapy for the treatment of cancer PHARMACIA CORPORATION 2004-07-01 US disclosed
EP-1414526-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER Pharmacia Corporation (US) 2004-05-06 EP disclosed
US-20040038977-A1 Substituted bezopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. 2004-02-26 US disclosed
EP-0977748-B1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-03-26 EP disclosed
US-6492390-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS. G.D. SEARLE & CO. 2002-12-10 US disclosed
WO-2002085459-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER PHARMACIA CORPORATION (US) 2002-10-31 WO disclosed
US-20020103141-A1 Antiangiogenic combination therapy for the treatment of cancer PHARMACIA CORPORATION 2002-08-01 US disclosed
US-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation G.D. SEARLE & CO. (US) 2002-01-24 US disclosed
US-6271253-B1 CYCLOOXYGENASE INHIBITORS G.D. SEARLE & CO. 2001-08-07 US disclosed
US-6077850-A USEFUL FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 2000-06-20 US disclosed
US-6034256-A CYCLOOXYGEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-03-07 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 (5 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-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation PTGS1, IL1R1, PTGES2 CYP3A4 379/4885ELANE 218/4885KCNN4 4388/4885
US-20040038977-A1 Substituted bezopyran derivatives for the treatment of inflammation PTGS1, PTGES2, IL1R1 CYP3A4 476/4885ELANE 339/4885KCNN4 4558/4885
US-20050049252-A1 Substituted benzopyran derivatives for the treatment of inflammation PTGES2, PTGS2, PTGER2 CYP3A4 142/4885ELANE 110/4885KCNN4 4031/4885
US-20020103141-A1 Antiangiogenic combination therapy for the treatment of cancer TOP2A, TOP2B, TOP1 CYP3A4 2709/4885ELANE 977/4885KCNN4 4476/4885
US-20040127539-A1 Antiangiogenic combination therapy for the treatment of cancer TOP2A, TOP2B, TOP1 CYP3A4 2709/4885ELANE 977/4885KCNN4 4476/4885

“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.