SCHEMBL6893992

SCHEMBL6893992

O=C(COCCCCCCl)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
MAOB P27338 1/20 0.52
PARP10 Q53GL7 1/20 0.52
PLA2G4B P0C869 2/20 0.52
SRD5A2 P31213 1/20 0.51
EGFR P00533 4/20 0.51
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46

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
SCHEMBL6899078 0.99 NR4A1 (0.56) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL9047885 0.95 NR4A1 (0.57) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL1630447 0.83 NR4A1 (0.68) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL10661203 0.83 ALDH1A1 (0.50) RAB9ASMN1; SMN2NPC1MAPK1ALDH1A1
SCHEMBL6760987 0.82 GUSB (0.57) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL8770271 0.82 SRD5A2 (0.70) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL8568448 0.81 MAOB (0.46) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL5884559 0.81 EGFR (0.66) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL7342141 0.79 NR4A2 (0.70) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL10665429 0.79 ALDH1A1 (0.52) NR4A2RAB9ASMN1; SMN2NPC1MAPK1

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 13 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
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
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 NR4A1 3810/4885NR4A2 3519/4885NR4A3 2943/4885
US-20020010213-A1 Methods for identifying and treating resistant tumors ABCC1, SLC11A2, VHL NR4A1 3810/4885NR4A2 3519/4885NR4A3 2943/4885

“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.