SCHEMBL2222069

SCHEMBL2222069

COc1ccccc1C(=O)CC(C)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.70
CTSD P07339 1/20 0.61
IDO1 P14902 1/20 0.60
TDO2 P48775 1/20 0.60
HDAC8 Q9BY41 1/20 0.56
HDAC1 Q13547 1/20 0.56
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
STAT3 P40763 1/20 0.53
HPGD P15428 2/20 0.53
TP53 P04637 1/20 0.53
GLA P06280 1/20 0.53
CTNNB1 P35222 2/20 0.53
WNT3A P56704 2/20 0.53
RAB9A P51151 2/20 0.51
KCNK3 O14649 1/20 0.50

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
SCHEMBL31337028 1.00 NPC1 (0.70) NPC1CTSDIDO1TDO2HDAC8
Anisole SCHEMBL11599826 0.92 NPC1 (0.65) NPC1CTSDIDO1TDO2HDAC8
SCHEMBL29987209 0.90 NPC1 (0.83) NPC1CTSDIDO1TDO2HDAC8
SCHEMBL21128714 0.90 NPC1 (0.83) NPC1CTSDIDO1TDO2HDAC8
SCHEMBL2723234 0.85 NPC1 (0.75) NPC1CTSDIDO1TDO2HDAC8
SCHEMBL447573 0.85 NPC1 (0.70) NPC1CTSDIDO1TDO2HDAC8
SCHEMBL3848150 0.84 CTSD (0.69) NPC1CTSDIDO1TDO2HDAC8
SCHEMBL2199445 0.83 CTSD (0.62) NPC1CTSDIDO1TDO2HDAC8
SCHEMBL10965906 0.83 NPC1 (0.50) NPC1CTSDIDO1TDO2HDAC8
SCHEMBL15979734 0.82 CTNNB1 (0.71) NPC1CTSDIDO1TDO2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142588-A1 Acetoacetylation of alcohols, thiols and amines in a microreactor CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2006-06-29 US claimed
CN-1745056-A Acetoacetylation of alcohols, thiols, and amines in microreactors CLARIANT GMBH (DE) 2006-03-08 CN claimed
CN-116354829-B Preparation method and application of pentyenediamine adipate 中国科学院长春应用化学研究所 2025-02-07 CN disclosed
CN-116354829-A Preparation method and application of pentyenediamine adipate 中国科学院长春应用化学研究所 2023-06-30 CN disclosed
CN-109971211-A Color compositions 山阳色素株式会社 2019-07-05 CN disclosed
EP-2216312-B1 PROCESS FOR PRODUCING ORGANIC COMPOUND M TECHNIQUE CO LTD (JP) 2019-05-01 EP disclosed
CN-108912723-A Utilize the method for solid particle one pot process azo-compound 天津大学 2018-11-30 CN disclosed
CN-108863834-A A kind of new synthetic method of 2- fluoro -1,3- dicarbonyl compound 信阳师范学院 2018-11-23 CN disclosed
CN-101903310-B Method for producing organic compound M TECH CO LTD 2014-12-17 CN disclosed
US-8592498-B2 Method for producing organic compound and organic compound obtained by the method M. TECHNIQUE CO., LTD. (JP) 2013-11-26 US disclosed
US-7989633-B2 4-Chromenonyl-1,4-dihydropyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-02 US disclosed
WO-2004067492-A1 ACETOACETYLATION OF ALCOHOLS, THIOLS AND AMINES IN A MICROREACTOR CLARIANT GMBH (DE) 2004-08-12 WO disclosed
WO-2003051890-A1 IMIDAZO [2,1-B]-1,3,4-THIADIAZOLE SUFLONAMIDES AEGERA THERAPEUTICS INC. (CA) 2003-06-26 WO disclosed
EP-0210284-B1 1,3-DITHIOL-2-YLIDENE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-08-19 EP disclosed
EP-0234480-A2 1, 3-diketone derivatives and their use NIHON NOHYAKU CO., LTD. (JP) 1987-09-02 EP disclosed
US-4668799-A Anti-hepatitis and anti-cirrhotic 1,3-dithiol-2-ylidene derivatives, and pharmaceutical compositions therefor BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-05-26 US disclosed
EP-0210284-A1 1,3-Dithiol-2-ylidene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-02-04 EP disclosed
US-4182873-A AMINATION OF MERCAPTO THIAZOLE OR DISULFIDE RHONE-POULENC S.A. (FR) 1980-01-08 US disclosed
US-3985718-A AN OXIDIZING AGENT, A CHELATE COMPOUND, AN ELECTRON DONOR AND A CHELATING COMPLEX RHONE-POULENC S.A. (FR) 1976-10-12 US disclosed
US-3935272-A Process for the oxidation of olefine compounds RHONE-POULENC S.A. (FR) 1976-01-27 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 (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-20060142588-A1 Acetoacetylation of alcohols, thiols and amines in a microreactor ADH1A, GRHPR, AKR1C2 NPC1 3537/4885CTSD 4666/4885IDO1 2695/4885

“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.