SCHEMBL6898560

SCHEMBL6898560

C=CCOc1cccc(C(=O)c2ccccc2C(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51
BLM P54132 1/20 0.48
KAT6A Q92794 1/20 0.47
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6899979 0.86 ALDH1A1 (0.53) ALDH1A1GAAADRB2ADRB1ADRB3
SCHEMBL758035 0.85 ADRB2 (0.61) ALDH1A1GAAADRB2ADRB1ADRB3
SCHEMBL23748267 0.81 ALDH1A1 (0.58) ALDH1A1GAAADRB2ADRB1ADRB3
SCHEMBL5376581 0.78 BLM (0.50) ALDH1A1GAAADRB2ADRB1ADRB3
SCHEMBL6942378 0.77 ADRB2 (0.48) ALDH1A1GAAADRB2ADRB1ADRB3
SCHEMBL1092605 0.77 MAOB (0.59) ALDH1A1GAAADRB2ADRB1ADRB3
SCHEMBL23597450 0.76 ALDH1A1 (0.59) ALDH1A1GAAADRB2ADRB1ADRB3
SCHEMBL27294341 0.76 ADRB2 (0.62) ALDH1A1GAAADRB2ADRB1ADRB3
SCHEMBL1668739 0.75 NPC1 (0.67) ALDH1A1ADRB2ADRB1ADRB3KAT6A
SCHEMBL29784242 0.75 NPC1 (0.67) ALDH1A1ADRB2ADRB1ADRB3KAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673813-B2 INHIBITING MEMBRANE TRANSPORT MEDIATED BY THE MULTIDRUG RESISTANCE ASSOCIATED PROTEIN MRP IN A PATIENT BY ADMINISTERING A COMPOUND HAVING AN AMPHIPHILIC ANION AND A MOLECULAR WEIGHT OF FROM 300 TO 950 DALTONS. JEDLITSCHKY GABRIELE (DE) 2004-01-06 US disclosed
US-20020013370-A1 Methods for identifying and treating resistant tumors SAWYER JASON SCOTT (US) 2002-01-31 US disclosed
US-20020010213-A1 Methods for identifying and treating resistant tumors SAWYER JASON SCOTT (US) 2002-01-24 US disclosed
EP-1129707-A2 Methods for identifying and treating resistant tumors Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2001-09-05 EP disclosed
US-6235785-B1 DRUG RESISTANCE ELI LILLY AND COMPANY 2001-05-22 US disclosed
EP-0544488-B1 Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1998-03-11 EP disclosed
EP-0777472-A2 METHODS FOR IDENTIFYING AND TREATING RESISTANT TUMORS ELI LILLY AND COMPANY (US) 1997-06-11 EP disclosed
CN-1035001-C Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1997-05-28 CN disclosed
WO-1996036347-A1 USE OF LEUKOTRIENE ANTAGONISTS FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-11-21 WO disclosed
EP-0743064-A1 Leukotriene antagonists for use in the treatment or prevention of alzheimer's disease ELI LILLY AND COMPANY (US) 1996-11-20 EP disclosed
US-5543428-A ADMINISTERING SUBSTITUTED PHENOXYALKYL COMPOUNDS TO REVERSE DRUG RESISTANCE ELI LILLY AND COMPANY (US) 1996-08-06 US disclosed
WO-1996006604-A2 METHODS FOR IDENTIFYING AND TREATING RESISTANT TUMORS ELI LILLY AND COMPANY (US) 1996-03-07 WO disclosed
US-5462954-A Antiinflammatory, antiallergens; treating asthma ELI LILLY AND COMPANY (US) 1995-10-31 US disclosed
CN-1088906-A The phenyl phenol leukotriene antagonists that replaces LILLY CO ELI (US) 1994-07-06 CN disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 EP 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-20020013370-A1 Methods for identifying and treating resistant tumors ABCC1, SLC11A2, VHL ALDH1A1 1028/4885GAA 1363/4885ADRB2 3599/4885
US-20020010213-A1 Methods for identifying and treating resistant tumors ABCC1, SLC11A2, VHL ALDH1A1 1028/4885GAA 1363/4885ADRB2 3599/4885

“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.