SCHEMBL6488893

SCHEMBL6488893

COc1ccccc1C(=O)CCl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
CTSD P07339 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 1/20 0.55
CTNNB1 P35222 3/20 0.55
WNT3A P56704 3/20 0.55
IDO1 P14902 1/20 0.54
TDO2 P48775 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC1 Q13547 1/20 0.54
LMNA P02545 2/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
STAT3 P40763 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
SCHEMBL21128714 0.84 NPC1 (0.83) NPC1CTSDL3MBTL1ALDH1A1KMT2A
SCHEMBL29987209 0.84 NPC1 (0.83) NPC1CTSDL3MBTL1ALDH1A1KMT2A
SCHEMBL15979734 0.84 CTNNB1 (0.71) NPC1CTSDL3MBTL1ALDH1A1KMT2A
SCHEMBL8544356 0.84 HPGD (0.56) NPC1L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL29738645 0.82 NPC1 (0.64) NPC1CTSDL3MBTL1ALDH1A1KMT2A
SCHEMBL878658 0.82 NPC1 (0.64) NPC1CTSDL3MBTL1ALDH1A1KMT2A
SCHEMBL3702934 0.82 NPC1 (0.64) NPC1CTSDL3MBTL1ALDH1A1KMT2A
SCHEMBL1448202 0.82 NPC1 (0.64) NPC1CTSDL3MBTL1ALDH1A1KMT2A
SCHEMBL7460882 0.82 HDAC8 (0.64) NPC1CTSDL3MBTL1ALDH1A1KMT2A
SCHEMBL8569591 0.81 HDAC8 (0.67) NPC1CTSDL3MBTL1ALDH1A1KMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107629069-B Preparation method of acetyl coenzyme A carboxylase inhibitor 中国药科大学 2023-01-24 CN claimed
CN-107629069-A The preparation method of a kind of acetyl-CoA carboxylase inhibitor 中国药科大学 2018-01-26 CN claimed
CN-118027395-B Coating material, preparation method and application thereof, and lithium battery diaphragm 安徽壹石通材料科学研究院有限公司 2025-04-29 CN disclosed
CN-118027395-A Coating material, preparation method and application thereof, and lithium battery diaphragm 安徽壹石通材料科学研究院有限公司 2024-05-14 CN disclosed
CN-107629069-B Preparation method of acetyl coenzyme A carboxylase inhibitor 中国药科大学 2023-01-24 CN disclosed
CN-107629069-A The preparation method of a kind of acetyl-CoA carboxylase inhibitor 中国药科大学 2018-01-26 CN disclosed
WO-2013055944-A2 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT MONSANTO TECHNOLOGY LLC (US) 2013-04-18 WO disclosed
US-6888012-B2 Reducing an alpha -haloketone compound by asymmetric hydrogen transfer in presence of a group 9 transition metal compound having a substituted or unsubstituted cyclopentadienyl group and an optically active diamine compound AJINOMOTO CO., INC. (JP) 2005-05-03 US disclosed
US-20040082820-A1 Hydrogen transfer reduction; useful as intermediate for production of pharmaceuticals/agricultural chemicals AJINOMOTO CO., INC. (JP) 2004-04-29 US disclosed
EP-1346972-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE HALOHYDRIN COMPOUND Ajinomoto Co., Inc. (JP) 2003-09-24 EP disclosed
EP-0493617-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE (-)-2-HALO-1-(SUBSTITUTED PHENYL)ETHANOL KANEGAFUCHI CHEMICAL IND (JP) 1999-10-06 EP disclosed
CN-1089608-A Imidazopyridine MERCK PATENT GMBH (DE) 1994-07-20 CN disclosed
US-4131686-A ANTIDIABETIC TANABE SEIYAKU CO., LTD. (JP) 1978-12-26 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-20040082820-A1 Hydrogen transfer reduction; useful as intermediate for production of pharmaceuticals/agricultural chemicals DHPS, HDHD5, HYPK NPC1 2153/4885CTSD 2028/4885L3MBTL1 4143/4885

“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.