SCHEMBL6895558

SCHEMBL6895558

CCCCc1c(O)cccc1Oc1ccccc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
CNR1 P21554 6/20 0.46
CNR2 P34972 6/20 0.46
SLC6A3 Q01959 1/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL6808531 0.92 TSHR (0.54) LMNATSHRSLC6A3LTB4RLTB4R2
SCHEMBL9073220 0.86 LTB4R (0.56) TSHRCNR1CNR2LTB4RLTB4R2
SCHEMBL28674480 0.83 TSHR (0.53) LMNATSHRCNR1CNR2SMN1; SMN2
SCHEMBL9152129 0.82 TSHR (0.50) LMNATSHRCNR1CNR2LTB4R
SCHEMBL6894975 0.81 LMNA (0.51) LMNATSHRCNR2SLC6A3LTB4R
SCHEMBL6899126 0.81 LMNA (0.51) LMNATSHRSLC6A3LTB4RLTB4R2
SCHEMBL6899075 0.80 LTB4R (0.50) LMNATSHRSLC6A3LTB4RLTB4R2
SCHEMBL2441955 0.79 SLC6A3 (0.65) LMNATSHRSLC6A3MAPTHTT
SCHEMBL8022509 0.79 ALOX5 (0.49) CNR1CNR2LTB4RLTB4R2
SCHEMBL15110844 0.78 LMNA (0.58) LMNATSHRSMN1; SMN2CYP1A2CYP2C19

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-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
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 LMNA 1418/4885TSHR 3954/4885CNR1 3594/4885
US-20020010213-A1 Methods for identifying and treating resistant tumors ABCC1, SLC11A2, VHL LMNA 1418/4885TSHR 3954/4885CNR1 3594/4885

“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.