SCHEMBL388480

SCHEMBL388480

O=C1CCCc2c(O)cccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
BRD4 O60885 2/20 0.49
MAOB P27338 4/20 0.48
MAOA P21397 4/20 0.48
BCL2L1 Q07817 1/20 0.48
BAD Q92934 1/20 0.48
CYP2A6 P11509 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.43
PRKCI P41743 1/20 0.43
CYP19A1 P11511 2/20 0.42
TSHR P16473 3/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRB3 P13945 1/20 0.41
SLC6A4 P31645 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL21772776 0.98 PARP1 (0.51) PARP1BRD4MAOBMAOABCL2L1
SCHEMBL14120724 0.96 BCL2L1 (0.53) PARP1BRD4MAOBMAOABCL2L1
SCHEMBL29392687 0.88 PARP1 (0.56) PARP1MAOBMAOABCL2L1BAD
SCHEMBL389461 0.88 PARP1 (0.56) PARP1MAOBMAOABCL2L1BAD
SCHEMBL1151194 0.78 PARP1 (0.55) PARP1BRD4MAOBMAOACYP2A6
SCHEMBL29501042 0.78 PARP1 (0.55) PARP1BRD4MAOBMAOACYP2A6
SCHEMBL5540741 0.78 MAOA (0.50) BRD4MAOBMAOACYP2A6MRGPRX4
SCHEMBL1759573 0.77 MRGPRX4 (0.51) BRD4MAOBMAOACYP2A6MRGPRX4
SCHEMBL9521410 0.76 ACHE (0.53) BRD4MAOBMAOACYP2A6PRKCI
SCHEMBL14431629 0.76 BCL2L1 (0.48) PARP1BRD4MAOBMAOABCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115364144-A Yuqing lobular Kuding tea extract and preparation method and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2022-11-22 CN claimed
US-20220340539-A1 COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF GENEORA PHARMA (SHIJIAZHUANG) CO., LTD. (CN) 2022-10-27 US claimed
EP-4039678-A1 COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shandong Luye Pharmaceutical Co., Ltd. (CN) 2022-08-10 EP claimed
CN-114423746-A Compound and preparation method and application thereof 山东绿叶制药有限公司 2022-04-29 CN claimed
CN-109160882-B Preparation method of levobunolol hydrochloride 杭州师范大学 2021-07-09 CN claimed
WO-2021063347-A1 COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 山东绿叶制药有限公司 2021-04-08 WO claimed
US-10611721-B2 Method for preparing levobunolol hydrochloride HANGZHOU NORMAL UNIVERSITY (CN) 2020-04-07 US claimed
US-20200071259-A1 Method for Preparing Levobunolol Hydrochloride HANGZHOU NORMAL UNIVERSITY (CN) 2020-03-05 US claimed
CN-108722396-B A kind of preparation method of 5- hydroxyl -1-tetralone 杭州卢普生物科技有限公司 2019-08-06 CN claimed
CN-109160882-A A kind of preparation method of Levobunolol Hydrochorid 杭州师范大学 2019-01-08 CN claimed
US-10092786-B2 Fire extinguishing composition comprising aldoketones compound XI'AN WESTPEACE FIRE TECHNOLOGY CO., LTD. (CN) 2018-10-09 US claimed
US-20160332016-A1 Fire Extinguishing Composition Comprising Aldoketones Compound NANO FIRE, LLC 2016-11-17 US claimed
EP-2194035-B1 Hydroxytetralones SALTIGO GMBH (DE) 2011-11-02 EP claimed
CN-101140278-A Animals urine checking method, detecting and preparation method SHIAN LIU (CN) 2008-03-12 CN claimed
CN-1676513-A Novel anti-hypertension chemical entity (TMEP) TIAN SHIXIONG (CN) 2005-10-05 CN claimed
US-5618982-A SIMPLE INDUSTRIAL PROCESS OF CATALYZING IN PRESENCE OF METALLIC PHOSPHATES RHONE-POULENC CHIMIE (FR) 1997-04-08 US claimed
US-5426227-A Enantioselective process for the preparation of leveobunolol MEDICHAM, S.A. (ES) 1995-06-20 US claimed
JP-5194459-A None JP disclosed
US-4018824-A ANTIULCER AND ADRENERGIC BLOCKING AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JA) 1977-04-19 US disclosed
US-3932411-A HYPOTENSIVE, TRANQUILIZERS, SEDATIVES, ANTIEDEMIC BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-01-13 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 (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-10611721-B2 Method for preparing levobunolol hydrochloride SQLE, TET1, CYP7A1 PARP1 2655/4885BRD4 1104/4885MAOB 141/4885
US-20200071259-A1 Method for Preparing Levobunolol Hydrochloride SQLE, TET1, CYP7A1 PARP1 2655/4885BRD4 1104/4885MAOB 141/4885
US-20220340539-A1 COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF FURIN, VIP, SORD PARP1 4014/4885BRD4 3516/4885MAOB 340/4885

“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.