SCHEMBL8624905

SCHEMBL8624905

CC(C)(C)C(=O)COc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 3/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
ATF4 P18848 4/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
CYP2D6 P10635 1/20 0.49
PPARA Q07869 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL11841275 0.95 MAPT (0.48) PTGS2L3MBTL1MEN1KMT2ACYP1A2
SCHEMBL11003513 0.84 SMN1; SMN2 (0.51) PTGS2L3MBTL1MEN1KMT2ACYP1A2
SCHEMBL10636684 0.84 PTGS2 (0.48) PTGS2L3MBTL1MEN1KMT2ACYP1A2
SCHEMBL10917930 0.84 MAP4K4 (0.50) PTGS2L3MBTL1MEN1KMT2ACYP1A2
SCHEMBL10636693 0.84 MAPT (0.49) PTGS2L3MBTL1MEN1KMT2ACYP1A2
SCHEMBL10406787 0.84 PTGS2 (0.48) PTGS2L3MBTL1MEN1KMT2ACYP1A2
SCHEMBL10931456 0.83 MAPK1 (0.59) ALDH1A1ELANESMN1; SMN2AR
SCHEMBL8247256 0.83 MAPT (0.54) L3MBTL1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL12622681 0.83 LMNA (0.53) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL11165052 0.83 PTGS2 (0.47) PTGS2L3MBTL1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102584551-A Synthetic method of triazolone intermediate 1-(4-chlorinated phenoxyl)-1-chlorinated pinacoline YANCHENG LIMIN CHEMICAL CO LTD 2012-07-18 CN claimed
EP-0124013-B1 PROCESS FOR THE PREPARATION OF OXIRANES BAYER AG (DE) 1988-07-13 EP claimed
EP-0124013-A2 Process for the preparation of oxiranes BAYER AG (DE) 1984-11-07 EP claimed
US-20220400678-A1 OXIME ETHER COMPOUND AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2022-12-22 US disclosed
CN-114890951-A Synthesis method of Ganbaosu 山东汉峰新材料科技有限公司 2022-08-12 CN disclosed
US-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME Cellix Bio Provate Limited (IN) 2022-05-26 US disclosed
WO-2020254102-A1 PRODUCT FOR DYEING KERATINOUS MATERIAL, CONTAINING AMINOSILICONE, A CHROMOPHORIC COMPOUND, PRESERVATIVE AND A FATTY CONSTITUENT HENKEL AG & CO. KGAA (DE) 2020-12-24 WO disclosed
US-20160271133-A1 Methods of Treating Multiple Myeloma and Resistant Cancers PROLEXYS PHARMACEUTICALS INC (US) 2016-09-22 US disclosed
CN-102584551-A Synthetic method of triazolone intermediate 1-(4-chlorinated phenoxyl)-1-chlorinated pinacoline YANCHENG LIMIN CHEMICAL CO LTD 2012-07-18 CN disclosed
US-20110092489-A1 3-Aryl-Substituted Quinazolones, and Uses Thereof Prolexys Pharmaceuticals ,Inc. (US) 2011-04-21 US disclosed
US-20100048594-A1 USE OF CYTOHESIN INHIBITORS FOR CHEMICALLY INDUCING LONGEVITY RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITAT (DE) 2010-02-25 US disclosed
EP-0040345-A1 1-Hydroxyethyl-azole derivatives, process for their preparation and their use in the regulation of plant growth and as fungicides BAYER AG (DE) 1981-11-25 EP disclosed
EP-0037591-A1 Phenoxy-pyrimidinyl alkanols, process for their preparation and their use as fungicides BAYER AG (DE) 1981-10-14 EP disclosed
EP-0035697-A1 3,3-Dimethyl-1-phenoxy-2-butanols, process for their preparation and their use as intermediates BAYER AG (DE) 1981-09-16 EP disclosed
EP-0028755-A1 Plant growth regulating agent, its preparation and its use BAYER AG (DE) 1981-05-20 EP disclosed
US-4262000-A CONTAINING ETHER AND KETONE OR HYDROXYL GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 US disclosed
EP-0016974-A1 3-Substituted pyridine derivatives, process for their preparation, their use as fungicides, and intermediates BAYER AG (DE) 1980-10-15 EP disclosed
EP-0001399-A1 Phenoxy-pyridinyl-alcanols, process for their preparation and their use as fungicides BAYER AG (DE) 1979-04-18 EP disclosed
US-3987180-A 1-PROPYL-IMIDAZOLYL ANTIMYCOTIC COMPOSITIONS AND METHODS OF TREATING MYCOSES BAYER AKTIENGESELLSCHAFT (DT) 1976-10-19 US disclosed
US-3940415-A FUNGICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-02-24 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 (5 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-20160271133-A1 Methods of Treating Multiple Myeloma and Resistant Cancers MCL1, SLC11A2, MEN1 PTGS2 2604/4885L3MBTL1 745/4885MEN1 3/4885
US-20110092489-A1 3-Aryl-Substituted Quinazolones, and Uses Thereof MKI67, MCL1, HCCS PTGS2 1158/4885L3MBTL1 2892/4885MEN1 2337/4885
US-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, F5 PTGS2 1404/4885L3MBTL1 4880/4885MEN1 3871/4885
US-20100048594-A1 USE OF CYTOHESIN INHIBITORS FOR CHEMICALLY INDUCING LONGEVITY IGFBP1, IGFBP2, IGFBP5 PTGS2 1124/4885L3MBTL1 366/4885MEN1 604/4885
US-20220400678-A1 OXIME ETHER COMPOUND AND APPLICATION THEREOF CYP2E1, GALE, OGFOD1 PTGS2 657/4885L3MBTL1 3034/4885MEN1 2701/4885

“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.