SCHEMBL6900705

SCHEMBL6900705

CC(OCc1ccccc1)c1cc(OCCCCCl)cc(-c2ccc(F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ LTB4R Q15722 1/20 0.36
▸ GPR34 Q9UPC5 1/20 0.35
▸ RRM1 P23921 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL6898589 0.79 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6900717 0.76 LTB4R (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6899547 0.76 LTB4R (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6899269 0.69 RAB9A (0.39) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL20837594 0.68 SLC6A4 (0.45) MEN1KMT2ARAB9ASMN1; SMN2SLC6A4
SCHEMBL6900710 0.67 PIN1 (0.41) MRGPRX4LTB4RKMT2ASMN1; SMN2
SCHEMBL6899543 0.67 LTB4R (0.40) MRGPRX4LTB4RKMT2ASMN1; SMN2
SCHEMBL8569951 0.66 PTGER1 (0.39) LTB4RALDH1A1LMNAMAPTMAPK1
SCHEMBL27703100 0.65 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27297019 0.65 DRD2 (0.36) MRGPRX4LTB4RMEN1KMT2ASMN1; SMN2

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 PSEN1 3744/4885PSEN2 3553/4885APH1B 3897/4885
US-20020010213-A1 Methods for identifying and treating resistant tumors ABCC1, SLC11A2, VHL PSEN1 3744/4885PSEN2 3553/4885APH1B 3897/4885

“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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