SCHEMBL6898589

SCHEMBL6898589

CC(OCc1ccccc1)c1cccc(OCCCCCl)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ BCHE P06276 2/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ MAOB P27338 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ SGMS2 Q8NHU3 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ CASR P41180 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
SCHEMBL6900705 0.79 PSEN1 (0.42) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL6899269 0.79 RAB9A (0.39) SMN1; SMN2KMT2AMAOBALOX5MEN1
SCHEMBL11194328 0.76 BCHE (0.53) SMN1; SMN2BCHEKMT2AMAOBALOX5
SCHEMBL1826426 0.75 ADRB2 (0.41) SMN1; SMN2ALDH1A1BCHEKMT2AALOX5
SCHEMBL14289858 0.74 SLC6A2 (0.47) ALDH1A1BCHEKMT2AMEN1TSHR
SCHEMBL2701985 0.74 SLC6A2 (0.47) ALDH1A1BCHEKMT2AMEN1TSHR
SCHEMBL6755898 0.73 SGMS2 (0.47) SMN1; SMN2LMNABCHEKMT2AMAOB
SCHEMBL1947237 0.73 MAOB (0.50) ALDH1A1BCHEMAOB
SCHEMBL3579723 0.73 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1LMNABCHEKMT2A
SCHEMBL6898597 0.72 CYP4F2 (0.51) BCHEMAOBNR4A2

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 SMN1; SMN2 3863/4885KDM4E 2910/4885ALDH1A1 1028/4885
US-20020010213-A1 Methods for identifying and treating resistant tumors ABCC1, SLC11A2, VHL SMN1; SMN2 3863/4885KDM4E 2910/4885ALDH1A1 1028/4885

“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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