Sugi Predict

Sugi Predict / Compounds / SCHEMBL736286

SCHEMBL736286

SCHEMBL736286

CC1CCN(Cc2ccccc2)CC1O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.62
▸ ACHE P22303 3/20 0.60
▸ FUCA1 P04066 2/20 0.60
▸ SLC18A3 Q16572 1/20 0.57
▸ MAPT P10636 1/20 0.53
▸ BCHE P06276 2/20 0.51
▸ BACE1 P56817 2/20 0.51
▸ GBA1 P04062 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CCR3 P51677 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SIGMAR1 Q99720 2/20 0.49
▸ GRIN1 Q05586 1/20 0.49
▸ GRIN2B Q13224 1/20 0.49

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
SCHEMBL736285 1.00 ALDH1A1 (0.62) ALDH1A1ACHEFUCA1SLC18A3MAPT
SCHEMBL736287 1.00 ALDH1A1 (0.62) ALDH1A1ACHEFUCA1SLC18A3MAPT
SCHEMBL1036718 1.00 ALDH1A1 (0.62) ALDH1A1ACHEFUCA1SLC18A3MAPT
SCHEMBL28461967 1.00 ALDH1A1 (0.62) ALDH1A1ACHEFUCA1SLC18A3MAPT
Hydrochloric Acid SCHEMBL28093868 0.98 ALDH1A1 (0.60) ALDH1A1ACHEFUCA1SLC18A3MAPT
Alcohol SCHEMBL7113880 0.95 ALDH1A1 (0.57) ALDH1A1ACHEFUCA1SLC18A3MAPT
SCHEMBL5745121 0.92 ALDH1A1 (0.54) ALDH1A1ACHEFUCA1SLC18A3MAPT
SCHEMBL765298 0.87 ACHE (0.60) ALDH1A1ACHEFUCA1SLC18A3MAPT
SCHEMBL914717 0.87 ACHE (0.60) ALDH1A1ACHEFUCA1SLC18A3MAPT
SCHEMBL10267804 0.87 ACHE (0.60) ALDH1A1ACHEFUCA1SLC18A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113122050-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 — — CN claimed
CN-101759630-B Method for synthesizing N-benzyl-4-methyl-3-piperidone ZHEJIANG UNIVERSITY (CN) 2011-12-28 — — CN claimed
CN-101759630-A Method for synthesizing N-benzyl-4-methyl-3-piperidone UNIV ZHEJIANG 2010-06-30 — — CN claimed
CN-113122050-B Quantum dot ink and preparation method of quantum dot film TCL科技集团股份有限公司 2022-11-04 — — CN disclosed
CN-113122050-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 — — CN disclosed
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 — — WO disclosed
CN-105566321-B Heteroaromatic compounds and their use in medicine 广东东阳光药业有限公司 2020-04-21 — — CN disclosed
EP-3059239-B1 SULFUR-CONTAINING BICYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2018-06-27 — — EP disclosed
WO-2018060512-A1 PROCESS FOR PREPARING CHIRAL AMINES PATHEON AUSTRIA GMBH & CO KG (AT) 2018-04-05 — — WO disclosed
EP-3301087-A1 PROCESS FOR PREPARING CHIRAL AMINES DPx Fine Chemicals Austria GmbH & Co KG (AT) 2018-04-04 — — EP disclosed
EP-2491022-B1 DIAZEPAN DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2014-12-31 — — EP disclosed
US-20030176713-A1 Reacting an amino alcohol derivative with organic sulfonyl halide in a mixed solvent composed of an aprotic organic solvent and water in presence of a non-water prohibiting inorganic base KANEKA CORPORATION (JP) 2003-09-18 — — US disclosed
US-20030162966-A1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS KANEKA CORPORATION (JP) 2003-08-28 — — US disclosed
EP-1294724-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS Pfizer Products Inc. (US) 2003-03-26 — — EP disclosed
EP-1288198-A1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS KANEKA CORPORATION (JP) 2003-03-05 — — EP disclosed
US-20030032806-A1 Oxidation of carbon-boron bonds CAI WEILING (US) 2003-02-13 — — US disclosed
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-06-06 — — US disclosed
US-20020049352-A1 Oxidation of carbon-boron bonds CAI WEILING (US) 2002-04-25 — — US disclosed
WO-2002000661-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS PFIZER PRODUCTS INC. (US) 2002-01-03 — — WO disclosed
EP-1167329-A2 Oxidation of carbon-boron bonds Pfizer Products Inc. (US) 2002-01-02 — — 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 (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-20030162966-A1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS TST, STS, SELENOI ALDH1A1 646/4885ACHE 2146/4885FUCA1 3521/4885
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 ALDH1A1 1719/4885ACHE 4723/4885FUCA1 4212/4885
US-20030032806-A1 Oxidation of carbon-boron bonds CYBB, FOSB, SCO2 ALDH1A1 1925/4885ACHE 4086/4885FUCA1 4581/4885
US-20020049352-A1 Oxidation of carbon-boron bonds CYBB, FOSB, SCO2 ALDH1A1 1925/4885ACHE 4086/4885FUCA1 4581/4885
US-20030176713-A1 Reacting an amino alcohol derivative with organic sulfonyl halide in a mixed solvent composed of an aprotic organic solvent and water in presence of a non-water prohibiting inorganic base BRAF, ADH1C, TST ALDH1A1 498/4885ACHE 1481/4885FUCA1 4125/4885

“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.