Sugi Predict

Sugi Predict / Compounds / SCHEMBL40552

SCHEMBL40552

SCHEMBL40552

COc1cc(OC)cc([C](C)C)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.61
▸ CYP1A1 P04798 1/20 0.46
▸ CYP1B1 Q16678 1/20 0.46
▸ NQO2 P16083 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ PDE4A P27815 4/20 0.44
▸ PDE4B Q07343 4/20 0.44
▸ PDE4C Q08493 4/20 0.44
▸ PDE4D Q08499 4/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ RXRA P19793 1/20 0.42
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL16956058 0.85 ALDH1A1 (0.43) ALDH1A1NQO2CYP3A4KDM4ENPC1
SCHEMBL16957377 0.85 ESR1 (0.47) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL16961693 0.85 ALDH1A1 (0.44) ALDH1A1NQO2PDE4APDE4BPDE4C
SCHEMBL16954598 0.85 KMT2A (0.48) ALDH1A1CYP3A4ABCG2KDM4EGAA
SCHEMBL16950515 0.84 ALDH1A1 (0.42) ALDH1A1NQO2CYP3A4PDE4APDE4B
SCHEMBL16960774 0.84 ALDH1A1 (0.42) ALDH1A1NQO2CYP3A4ABCG2NPC1
SCHEMBL16960661 0.84 ALDH1A1 (0.42) ALDH1A1NQO2CYP3A4PDE4APDE4B
SCHEMBL16951713 0.84 ALDH1A1 (0.42) ALDH1A1NQO2CYP3A4KDM4ENPC1
SCHEMBL16951222 0.80 AHR (0.53) GAANPC1RAB9A
SCHEMBL16955748 0.80 HPGD (0.43) ALDH1A1KDM4EGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112585116-B Synthesis of (2S, 3R, 4R) -4, 5-dihydroxyisoleucine and derivatives thereof 海德堡医药研究有限责任公司 2024-05-14 — — CN claimed
CN-112585116-A Synthesis of (2S, 3R, 4R) -4, 5-dihydroxyisoleucine and derivatives thereof 海德堡医药研究有限责任公司 2021-03-30 — — CN claimed
EP-3774721-A1 SYNTHESIS OF (2S,3R,4R)-4,5-DIHYDROXYISOLEUCINE AND DERIVATIVES Heidelberg Pharma Research GmbH (DE) 2021-02-17 — — EP claimed
US-20210009507-A1 Synthesis of (2S,3R,4R)-4,5-Dihydroxyisoleucine and Derivatives HEIDELBERG PHARMA RESEARCH GMBH (DE) 2021-01-14 — — US claimed
WO-2019185877-A1 SYNTHESIS OF (2S,3R,4R)-4,5-DIHYDROXYISOLEUCINE AND DERIVATIVES HEIDELBERG PHARMA RESEARCH GMBH (DE) 2019-10-03 — — WO claimed
EP-3546447-A1 SYNTHESIS OF (2S,3R,4R)-4,5-DIHYDROXYISOLEUCINE AND DERIVATIVES Heidelberg Pharma GmbH (DE) 2019-10-02 — — EP claimed
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 — — US claimed
CN-102782580-B Pattern forming method NIPPON KOGAKU KK 2015-04-22 — — CN claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 — — EP claimed
EP-2177522-B1 NOVEL CARBAPENEM DERIVATIVES XUANZHU PHARMA CO LTD (CN) 2013-09-04 — — EP claimed
US-7244411-B2 Method of selective peptide isolation for the identification and quantitative analysis of proteins in complex mixtures CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2007-07-17 — — US claimed
US-20070128729-A1 Method for the identification and relative quantification of proteins based on the selective isolation of RRnK peptides for the simplification of complex mixtures of proteins CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2007-06-07 — — US claimed
EP-1785729-A2 A method for the selective isolation of multiply-charged peptides applicable in the quantitative proteomics CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CIGB) (CU) 2007-05-16 — — EP claimed
EP-1589341-A2 Method of selective peptide isolation for the identification and quantitative analysis of proteins in complex mixtures CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CIGB) (CU) 2005-10-26 — — EP claimed
US-20050176085-A1 Method of selective peptide isolation for the identification and quantitative analysis of proteins in complex mixtures CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2005-08-11 — — US claimed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 — — US claimed
US-5200526-A Syntheses of optically pure α-amino acids from 3-amino-2-oxetanone salts THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 1993-04-06 — — US claimed
US-12024580-B2 Resin composition suitable for printing and printing methods Montanuniversität Leoben (AT) 2024-07-02 — — US disclosed
EP-0176913-A2 Glycourethane derivatives, methods for their preparation and their use BEHRINGWERKE Aktiengesellschaft (DE) 1986-04-09 — — EP disclosed
EP-0175290-A2 Glycopeptides, method for their preparation and their use BEHRINGWERKE Aktiengesellschaft (DE) 1986-03-26 — — 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 (1 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-20210009507-A1 Synthesis of (2S,3R,4R)-4,5-Dihydroxyisoleucine and Derivatives AGL, GLUL, DAO ALDH1A1 1580/4885CYP1A1 1985/4885CYP1B1 1558/4885

“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.