Sugi Predict

Sugi Predict / Compounds / SCHEMBL3107522

SCHEMBL3107522

SCHEMBL3107522

O=C(C1(c2ccccc2)CCCC1)C1(c2ccccc2)CCCC1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKR1C1 Q04828 1/20 0.76
▸ HDAC4 P56524 2/20 0.66
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ LMNA P02545 3/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ HSD11B1 P28845 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.51
▸ P2RX7 Q99572 1/20 0.50
▸ APOBEC3A P31941 2/20 0.49
▸ APOBEC3G Q9HC16 2/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ GAA P10253 1/20 0.47

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
SCHEMBL2440267 0.98 AKR1C1 (0.73) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
SCHEMBL3113268 0.95 AKR1C1 (0.69) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
SCHEMBL3116138 0.91 AKR1C1 (0.61) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
SCHEMBL65167 0.86 AKR1C1 (1.00) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
SCHEMBL19249602 0.84 AKR1C1 (0.96) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
SCHEMBL66387 0.84 AKR1C1 (0.96) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
SCHEMBL1042420 0.84 AKR1C1 (0.96) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
SCHEMBL1041902 0.84 AKR1C1 (0.96) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL8315894 0.84 AKR1C1 (0.96) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
SCHEMBL3811046 0.83 AKR1C1 (0.92) AKR1C1HDAC4MEN1KMT2ASMN1; 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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514800-A Preparation method of penehyclidine hydrochloride 湖南一格制药有限公司 2023-08-01 — — CN claimed
CN-116420575-A Stemona seed direct seeding cultivation method 重庆市中药研究院 2023-07-14 — — CN claimed
CN-116046945-A Method for detecting related substances of penehyclidine hydrochloride injection by high performance liquid chromatography 上海旭东海普药业有限公司 2023-05-02 — — CN claimed
CN-111333899-A Preparation method of high-compression-strength cellulose aerogel 江西理工大学 2020-06-26 — — CN claimed
CN-105753682-B A kind of preparation method of phenylcyclopentyl ketone 中国科学院成都有机化学有限公司 2018-01-09 — — CN claimed
CN-106431832-A Alpha-cyclopentyl (phenyl) methanol synthesis and resolution method 陈永军 2017-02-22 — — CN claimed
CN-105753682-A Preparation method of cyclopentyl phenyl ketone 中国科学院成都有机化学有限公司 2016-07-13 — — CN claimed
CN-104237392-A Method of detecting impurities in penehyclidine CHONGQING XIANYANG MEDICINE SCIENCE & TECHNOLOGY CO LTD 2014-12-24 — — CN claimed
CN-103724298-A Preparation method of 1-phenyl-1-cyclopentyloxirane TIANJIN INST PHARM RESEARCH 2014-04-16 — — CN claimed
CN-103626723-A Novel preparation method of 1-phenyl-1-cyclopentyl oxirane TIANJIN INST PHARM RESEARCH 2014-03-12 — — CN claimed
US-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-07-15 — — US claimed
WO-2008121074-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-10-09 — — WO claimed
CN-116046945-B Method for detecting related substances of penehyclidine hydrochloride injection by high performance liquid chromatography 上海旭东海普药业有限公司 2025-03-11 — — CN disclosed
CN-118619939-A Synthesis method of penehyclidine hydrochloride 国药集团工业有限公司廊坊分公司 2024-09-10 — — CN disclosed
CN-118388328-A Method for synthesizing aldehyde ketone compound through catalyst-free photochemical decarboxylation 齐鲁工业大学(山东省科学院) 2024-07-26 — — CN disclosed
CN-116514800-A Preparation method of penehyclidine hydrochloride 湖南一格制药有限公司 2023-08-01 — — CN disclosed
WO-2008121074-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-10-09 — — WO disclosed
US-20070265463-A1 Titanium Compound and Process for Producing Optically Active Cyanohydrins MITSUI CHEMICALS, INC. (JP) 2007-11-15 — — US disclosed
EP-1806336-A1 TITANIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRINS Mitsui Chemicals, Inc. (JP) 2007-07-11 — — EP disclosed
US-6013836-A PARTICULARLY ACTIVE AGAINST MOTHS AND BEETLES AND THEIR INSECT GROWTH REGULATING ACTIVITY WITHOUT ADVERSE IMPACT ON BENEFICIAL INSECTS; CROPS; FORESTRY ROHM AND HAAS COMPANY (US) 2000-01-11 — — US 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-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE TDO2, AOX1, DAO AKR1C1 766/4885HDAC4 1548/4885MEN1 4177/4885
US-20070265463-A1 Titanium Compound and Process for Producing Optically Active Cyanohydrins WNT1, C3AR1, TDO2 AKR1C1 1102/4885HDAC4 3930/4885MEN1 3226/4885

“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.