Sugi Predict

Sugi Predict / Compounds / SCHEMBL3356338

SCHEMBL3356338

SCHEMBL3356338

COc1ccc(-c2[nH]c3ccc(OC)cc3c2C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.71
▸ KDM4E B2RXH2 7/20 0.59
▸ ALDH1A1 P00352 6/20 0.59
▸ MAPT P10636 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ GFER P55789 1/20 0.59
▸ HPGD P15428 5/20 0.56
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ TLR9 Q9NR96 1/20 0.53
▸ TLR7 Q9NYK1 1/20 0.53
▸ CCNB2 O95067 1/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ CCNB1 P14635 1/20 0.51
▸ GSK3A P49840 1/20 0.51
▸ GSK3B P49841 1/20 0.51

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
SCHEMBL13399698 0.94 ALOX5 (0.68) ALOX5KDM4EALDH1A1MAPTKMT2A
SCHEMBL8856056 0.90 ALOX5 (0.68) ALOX5KDM4EALDH1A1MAPTKMT2A
SCHEMBL27255881 0.90 KDM4E (0.59) ALOX5KDM4EALDH1A1MAPTKMT2A
SCHEMBL4565516 0.88 ALOX5 (0.61) ALOX5KDM4EALDH1A1MAPTKMT2A
SCHEMBL29839927 0.86 ALOX5 (0.63) ALOX5KDM4EALDH1A1MAPTKMT2A
SCHEMBL8995241 0.85 ALOX5 (0.57) ALOX5KDM4EALDH1A1MAPTKMT2A
SCHEMBL1637807 0.85 KDM4E (0.57) ALOX5KDM4EALDH1A1MAPTKMT2A
SCHEMBL31053083 0.85 KDM4E (0.57) ALOX5KDM4EALDH1A1MAPTKMT2A
SCHEMBL10459430 0.83 ALOX5 (1.00) ALOX5KDM4EALDH1A1MAPTKMT2A
SCHEMBL4155146 0.83 TRPM8 (0.53) ALOX5KDM4EALDH1A1MAPTKMT2A

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907251-B Method for constructing methyl heterocyclic compound by palladium-catalyzed alkyne nucleophilic methylation reaction 大连理工大学 2024-03-08 — — CN disclosed
CN-114907251-A Method for constructing methyl heterocyclic compound through palladium-catalyzed alkyne nucleophilic methylation reaction 大连理工大学 2022-08-16 — — CN disclosed
US-20140329784-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS WYETH LLC (US) 2014-11-06 — — US disclosed
US-8815934-B2 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations WYETH LLC (US) 2014-08-26 — — US disclosed
US-20120252769-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS WYETH LLC (US) 2012-10-04 — — US disclosed
EP-2118058-B9 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA KS (CZ) 2012-03-28 — — EP disclosed
EP-2118058-B1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA KS (CZ) 2011-06-08 — — EP disclosed
US-20100087661-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA K.S. (CZ) 2010-04-08 — — US disclosed
US-20100087661-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA K.S. (CZ) 2010-04-08 — — US disclosed
US-20100087661-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA K.S. (CZ) 2010-04-08 — — US disclosed
EP-0802183-A1 Estrogenic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1997-10-22 — — EP disclosed
EP-0772591-A1 2-PHENYL INDOLES AS ANTI-OESTROGEN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-14 — — EP disclosed
EP-0736008-A1 INDOLE DERIVATIVES AS ANTI-ESTROGENS KARO BIO AB (SE) 1996-10-09 — — EP disclosed
WO-1996027588-A1 INDOLE DERIVATIVES AS EAA ANTAGONISTS GLAXO WELLCOME S.P.A. (IT) 1996-09-12 — — WO disclosed
WO-1996003375-A1 2-PHENYL INDOLES AS ANTI-OESTROGEN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-08 — — WO disclosed
WO-1995017383-A1 INDOLE DERIVATIVES AS ANTI-ESTROGENS KARO BIO AB (SE) 1995-06-29 — — WO disclosed
US-5130308-A Indole derivatives as anticarcinogenic agents ASTA PHARMA (DE) 1992-07-14 — — US disclosed
US-4992553-A Treatment of hormone dependent tumors ASTA PHARMA AKTIENGESELLSCHAFT (DE) 1991-02-12 — — US disclosed
EP-0262498-B1 DIAMINE PLATINUM (II) COMPLEX COMPOUNDS WITH A HYDROXY-SUBSTITUTED 2-PHENYL-INDOLE RING ASTA Pharma Aktiengesellschaft (DE) 1990-05-30 — — EP disclosed
EP-0262498-A2 Diamine platinum (II) complex compounds with a hydroxy-substituted 2-phenyl-indole ring ASTA Pharma Aktiengesellschaft (DE) 1988-04-06 — — 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 (3 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-20140329784-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS ESR2, ESR1, CYP19A1 ALOX5 482/4885KDM4E 174/4885ALDH1A1 1112/4885
US-20120252769-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS ESR2, ESR1, CYP19A1 ALOX5 482/4885KDM4E 174/4885ALDH1A1 1112/4885
US-20100087661-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE CYP19A1, CYP17A1, SHBG ALOX5 897/4885KDM4E 99/4885ALDH1A1 1129/4885

“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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