SCHEMBL637532

SCHEMBL637532

O=C(O)C1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
AKR1C3 P42330 2/20 0.55
AKR1C1 Q04828 1/20 0.55
FFAR2 O15552 1/20 0.52
MAPT P10636 3/20 0.51
DEGS1 O15121 1/20 0.51
NOTUM Q6P988 1/20 0.47
IDO1 P14902 2/20 0.47
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL918204 1.00 NPC1 (0.66) NPC1RAB9AAKR1C3AKR1C1FFAR2
Hydrochloric Acid SCHEMBL10982713 0.98 NPC1 (0.64) NPC1RAB9AAKR1C3AKR1C1FFAR2
SCHEMBL16695399 0.89 AKR1C3 (0.71) NPC1RAB9AAKR1C3AKR1C1FFAR2
SCHEMBL31154456 0.89 AKR1C3 (0.71) NPC1RAB9AAKR1C3AKR1C1FFAR2
Bicarbonate SCHEMBL1719769 0.88 IDO1 (0.51) NPC1RAB9AFFAR2MAPTDEGS1
SCHEMBL10896665 0.85 MAPT (0.51) NPC1RAB9AAKR1C3AKR1C1FFAR2
SCHEMBL9938128 0.85 MAPT (0.51) NPC1RAB9AAKR1C3AKR1C1FFAR2
Acetic Acid SCHEMBL28980245 0.84 IDO1 (0.49) NPC1RAB9AFFAR2MAPTDEGS1
Carbamic Acid SCHEMBL1569088 0.84 IDO1 (0.49) NPC1RAB9AFFAR2MAPTDEGS1
SCHEMBL3219203 0.83 MAPT (0.50) NPC1RAB9AFFAR2MAPTDEGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036772-A Synthesis method of beta-pinacol borate-alkyl ketone compound 陇东学院 2026-05-15 CN claimed
CN-115275216-B Pore-forming composition and application thereof 东风汽车集团股份有限公司 2024-07-09 CN claimed
CN-115490582-A Preparation method of fluorine-containing biphenyl alkene negative monomer liquid crystal compound 烟台德润液晶材料有限公司 2022-12-20 CN claimed
CN-115275216-A Pore-forming composition and application thereof 东风汽车集团股份有限公司 2022-11-01 CN claimed
CN-212189064-U 4- (4-chlorophenyl) cyclohexanecarboxylic acid production system 日照巴洛特药业有限公司 2020-12-22 CN claimed
CN-104628555-B A kind of synthetic method of pharmaceutical intermediate 4-(4-chlorphenyl) cyclohexyl-1-formic acid 烟台蓓丰医药科技有限公司 2016-11-30 CN claimed
CN-105622381-A Atovaquone synthesis technology QINGDAO SHOUTAI AGRICULTURAL SCIENCE & TECH CO LTD 2016-06-01 CN claimed
CN-104628555-A Synthesis method of drug intermediate 4-(4-chlorphenyl) cyclohexyl-1-formic acid YANTAI BIOFENGS PHARM TECH CO LTD 2015-05-20 CN claimed
US-8598387-B2 Process for the preparation of atovaquone GLAXO GROUP LIMITED (GB) 2013-12-03 US claimed
EP-2651868-A2 PROCESS FOR THE PREPARATION OF ATOVAQUONE Glaxo Group Limited (GB) 2013-10-23 EP claimed
US-20110004024-A1 PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2,3-DIHALONAPHTHOQUINONE ALKEM LABORATORIES LIMITED (IN) 2011-01-06 US claimed
EP-2250145-A2 PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2, 3-DIHALONAPTHOQUINONE Alkem Laboratories Ltd. (IN) 2010-11-17 EP claimed
CN-101774901-A Method for preparing atovaquone WUHAN TITON BIOTECH LTD 2010-07-14 CN claimed
CN-101265171-B Technique for synthesizing atovaquone CHONGQING HALLOCHEM PHARMA CO LTD 2010-06-02 CN claimed
WO-2010023686-A2 CRYSTALLINE FORM OF 2-CHLORO-3-[4-(4-CHLOROPHENYL) CYCLOHEXYL] [1,4]NAPHTHOQUINONE, PROCESS FOR THE SAME AND USE FOR PRODUCING 2-[4-(4-CHLOROPHENYL)CYCLOHEXYL]-3- HYDROXY- 1,4- NAPHTHOQUINONE MATRIX LABORATORIES LIMITED (IN) 2010-03-04 WO claimed
WO-2010001379-A1 A PROCESS FOR PREPARING ATOVAQUONE AND ASSOCIATE INTERMEDIATES CHEMAGIS LTD. (IL) 2010-01-07 WO claimed
WO-2009122432-A2 PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2, 3-DIHALONAPTHOQUINONE ALKEM LABORATORIES LTD. (IN) 2009-10-08 WO claimed
WO-2009007991-A2 A NEW PROCESS FOR PREPARATION OF ATOVAQUONE AND NOVEL INTERMEDIATES THEREOF IPCA LABORATORIES LIMITED (IN) 2009-01-15 WO claimed
WO-2008122988-A1 PROCESS FOR PREPARATION OF ATOVAQUONE AND THE CONVERSION OF CIS-ISOMER TO TRANS- ISOMER CADILA HEALTHCARE LIMITED (IN) 2008-10-16 WO claimed
CN-101265171-A Technique for synthesizing atovaquone CHONGQING HALLOCHEM PHARMA CO (CN) 2008-09-17 CN claimed

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-20110004024-A1 PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2,3-DIHALONAPHTHOQUINONE RECQL, NQO2, NQO1 NPC1 1929/4885RAB9A 2874/4885AKR1C3 249/4885

“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.