SCHEMBL9766489

SCHEMBL9766489

CCCC(CCC)C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.60
HDAC2 Q92769 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
CHRM1 P11229 1/20 0.60
AKR1A1 P14550 1/20 0.60
CHRM3 P20309 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
ADRA1A P35348 1/20 0.60
HRH1 P35367 1/20 0.60
DRD3 P35462 1/20 0.60
SLC6A3 Q01959 1/20 0.60
HDAC7 Q8WUI4 3/20 0.59
HDAC8 Q9BY41 3/20 0.59
HDAC6 Q9UBN7 3/20 0.59
HDAC9 Q9UKV0 3/20 0.59
HDAC5 Q9UQL6 3/20 0.59
TSHR P16473 3/20 0.57
CYP3A4 P08684 2/20 0.57
NFKB1 P19838 2/20 0.57

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
Ammonia Solution, Strong SCHEMBL27769629 0.97 HDAC1 (0.57) HDAC1HDAC2TDP1CHRM1AKR1A1
SCHEMBL12559160 0.89 CA2 (0.54) HDAC1HDAC2TDP1CHRM1AKR1A1
SCHEMBL17244095 0.89 HDAC1 (0.50) HDAC1HDAC2TDP1CHRM1AKR1A1
SCHEMBL5377086 0.88
SCHEMBL13636208 0.88
SCHEMBL13398634 0.87 HDAC7 (0.48) HDAC1HDAC2TDP1CHRM1AKR1A1
SCHEMBL20440700 0.87 HDAC7 (0.48) HDAC1HDAC2TDP1CHRM1AKR1A1
SCHEMBL14203373 0.87 HDAC7 (0.48) HDAC1HDAC2TDP1CHRM1AKR1A1
SCHEMBL795764 0.87 HDAC7 (0.48) HDAC1HDAC2TDP1CHRM1AKR1A1
SCHEMBL28193296 0.87 HDAC7 (0.48) HDAC1HDAC2TDP1CHRM1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114354803-B Method for detecting related substances of sodium valproate oral solution 成都倍特得诺药业有限公司 2023-11-14 CN claimed
CN-114354803-A Method for detecting related substances of sodium valproate oral solution 成都倍特药业股份有限公司 2022-04-15 CN claimed
CN-118373735-B Valproic acid prepared by cyanoacetic acid ester method 湖南省湘中制药有限公司 2025-02-21 CN disclosed
CN-118373735-A Valproic acid prepared by cyanoacetic acid ester method 湖南省湘中制药有限公司 2024-07-23 CN disclosed
US-20240216514-A1 NOVEL ANTITUMOR COMPOUNDS AND RELATED METHODS OF MANUFACTURE AND USE KLOTHO THERAPEUTICS, INC. 2024-07-04 US disclosed
US-20240216514-A1 NOVEL ANTITUMOR COMPOUNDS AND RELATED METHODS OF MANUFACTURE AND USE KLOTHO THERAPEUTICS, INC. 2024-07-04 US disclosed
CN-118010875-A Detection method for impurities in valproic acid prepared by diethyl malonate method 湖南省湘中制药有限公司 2024-05-10 CN disclosed
CN-114354803-B Method for detecting related substances of sodium valproate oral solution 成都倍特得诺药业有限公司 2023-11-14 CN disclosed
US-20230345815-A1 METAL-ORGANIC COORDINATION COMPOUND AND METHOD FOR PRODUCING THE SAME BEEOLED GMBH (DE) 2023-10-26 US disclosed
US-20230330059-A1 3-PHENYL-2H-CHROMENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING ALZHEIMER'S, CONTAINING SAME NEUROBIONET, INC. (KR) 2023-10-19 US disclosed
CN-116867781-A Imidazo [1,2-a ] pyridine derivatives as IRAK4 inhibitors and their use in the treatment of diseases 渤健马萨诸塞州股份有限公司 2023-10-10 CN disclosed
WO-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 WO disclosed
WO-2007067537-A1 PYRROLOPYRIDINE KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070048379-A1 Valproate tablet GUO MINTONG 2007-03-01 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
US-5075486-A Heating N-/1-propyl-n-butyl/formamide in absence of oxygen wit h alkali metal/silica gel catalyst SANOFI (FR) 1991-12-24 US disclosed
EP-0308325-B1 PROCESS FOR THE PREPARATION OF DI-N-PROPYL ACETONITRILE SANOFI (FR) 1991-12-11 EP disclosed
EP-0308325-A1 Process for the preparation of di-N-propyl acetonitrile SANOFI (FR) 1989-03-22 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 (6 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-20230330059-A1 3-PHENYL-2H-CHROMENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING ALZHEIMER'S, CONTAINING SAME APP, BACE1, MAPT HDAC1 372/4885HDAC2 278/4885TDP1 1835/4885
US-20230345815-A1 METAL-ORGANIC COORDINATION COMPOUND AND METHOD FOR PRODUCING THE SAME LIG1, AOC1, ORC3 HDAC1 80/4885HDAC2 375/4885TDP1 3236/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 HDAC1 444/4885HDAC2 509/4885TDP1 1869/4885
US-20240216514-A1 NOVEL ANTITUMOR COMPOUNDS AND RELATED METHODS OF MANUFACTURE AND USE BID, TBCA, PTBP3 HDAC1 1082/4885HDAC2 1518/4885TDP1 1496/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HDAC1 3718/4885HDAC2 4191/4885TDP1 3248/4885
US-20070048379-A1 Valproate tablet CACNA1A, SUCLG2, CACNA1G HDAC1 58/4885HDAC2 10/4885TDP1 1589/4885

“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.