Sugi Predict

Sugi Predict / Compounds / SCHEMBL2017897

SCHEMBL2017897

SCHEMBL2017897

C=C(c1ccc(F)cc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ MAOA P21397 3/20 0.41
▸ MAOB P27338 3/20 0.41
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.37
▸ BAD Q92934 1/20 0.37
▸ TRPA1 O75762 1/20 0.36

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
SCHEMBL8461563 0.87 MAPT (0.35) CA1CA2KMT2A
SCHEMBL12348929 0.80 NPC1 (0.39) CES2CES1MAOAMAOBALDH1A1
SCHEMBL12981369 0.78 ALDH1A1 (0.44) CES2CES1ALDH1A1HPGDNPC1
SCHEMBL30510709 0.78 CES2 (0.44) CES2CES1MAOAMAOBCA1
SCHEMBL9626474 0.78 MAPT (0.52) CA1CA2ALDH1A1HPGDNPC1
SCHEMBL2012718 0.76 CES2 (0.42) CES2CES1MAOAMAOBCA1
SCHEMBL1965137 0.76 TPMT (0.41) CA1CA2
SCHEMBL20153631 0.76 CES2 (0.48) CES2CES1
SCHEMBL20288454 0.76 HTR7 (0.44) CES2CES1MAOAMAOBCA1
SCHEMBL24595012 0.76 ALDH1A1 (0.50) MAOAMAOBALDH1A1HPGD

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273143-A1 DERIVATIVE OF 2,5-DIKETOPIPERAZINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Dalian WZ Probiotics AD Health Co., Ltd (CN) 2023-11-08 — — EP disclosed
US-11667621-B2 Antiestrogen compounds STEVENS INSTITUTE OF TECHNOLOGY (US) 2023-06-06 — — US disclosed
US-20210130320-A1 ANTIESTROGEN COMPOUNDS STEVENS INSTITUTE OF TECHNOLOGY (US) 2021-05-06 — — US disclosed
US-9394325-B2 Enantiopure base-metal catalysts for asymmetric catalysis and bis(imino)pyridine iron alkyl complexes for catalysis THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-07-19 — — US disclosed
EP-2513237-B1 STAIN-BLOCKING AQUEOUS COATING COMPOSITION AKZO NOBEL COATINGS INT BV (NL) 2014-06-18 — — EP disclosed
US-8709609-B2 Stain-blocking aqueous coating composition AKZO NOVEL COATINGS INTERNATIONAL B.V. (NL) 2014-04-29 — — US disclosed
US-8445480-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP. (US) 2013-05-21 — — US disclosed
US-8436028-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP (US) 2013-05-07 — — US disclosed
US-20130079567-A1 ENANTIOPURE BASE-METAL CATALYSTS FOR ASYMMETRIC CATALYSIS AND BIS(IMINO)PYRIDINE IRON ALKYL COMPLEXES FOR CATALYSIS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-28 — — US disclosed
EP-2513237-A1 STAIN-BLOCKING AQUEOUS COATING COMPOSITION Akzo Nobel Coatings International B.V. (NL) 2012-10-24 — — EP disclosed
US-20120244368-A1 STAIN-BLOCKING AQUEOUS COATING COMPOSITION AKZO NOBEL COATING INTERNATIONAL B.V. (NL) 2012-09-27 — — US disclosed
WO-2011073164-A1 STAIN-BLOCKING AQUEOUS COATING COMPOSITION AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2011-06-23 — — WO disclosed
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC (US) 2010-11-25 — — US disclosed
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC (US) 2010-11-25 — — US disclosed
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC 2010-08-05 — — US disclosed
EP-0197274-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED STYRENES BAYER AG (DE) 1989-01-04 — — EP disclosed
US-4650910-A CLEAVAGE OF N-ACYL-B-PHENETHYLAMINES WITH BASE BAYER AKTIENGESELLSCHAFT (DE) 1987-03-17 — — US disclosed
EP-0197274-A1 Process for the preparation of substituted styrenes BAYER AG (DE) 1986-10-15 — — 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 (5 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-20130079567-A1 ENANTIOPURE BASE-METAL CATALYSTS FOR ASYMMETRIC CATALYSIS AND BIS(IMINO)PYRIDINE IRON ALKYL COMPLEXES FOR CATALYSIS FECH, PARG, DOHH CES2 1884/4885CES1 3128/4885MAOA 371/4885
US-11667621-B2 Antiestrogen compounds ESR1, ESR2, ESRRG CES2 2344/4885CES1 1306/4885MAOA 3828/4885
US-20210130320-A1 ANTIESTROGEN COMPOUNDS ESR1, ESR2, ESRRG CES2 2344/4885CES1 1306/4885MAOA 3828/4885
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP CES2 47/4885CES1 5/4885MAOA 859/4885
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP CES2 67/4885CES1 5/4885MAOA 906/4885

“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.