SCHEMBL2789834

SCHEMBL2789834

CC(C)(C)c1ccc(Cl)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.54
▸ ALOX15 P16050 7/20 0.54
▸ SMN1; SMN2 Q16637 6/20 0.54
▸ MAPT P10636 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ ATP2A2 P16615 1/20 0.54
▸ ATP2A3 Q93084 1/20 0.54
▸ CYP3A4 P08684 6/20 0.50
▸ TSHR P16473 5/20 0.50
▸ HSD17B10 Q99714 5/20 0.50
▸ TDP1 Q9NUW8 4/20 0.50
▸ LMNA P02545 5/20 0.45
▸ HTT P42858 4/20 0.45
▸ TYR P14679 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ NR1I2 O75469 2/20 0.45
▸ MIF P14174 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.45
▸ CA2 P00918 3/20 0.43

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
SCHEMBL21302111 0.83 HSD17B10 (0.46) ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E
SCHEMBL8392107 0.83 CYP3A4 (0.46) ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E
SCHEMBL768507 0.82 ALDH1A1 (0.61) ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E
SCHEMBL11210466 0.79 CYP3A4 (0.43) ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E
SCHEMBL13403326 0.78 MAPK1 (0.46) ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E
SCHEMBL12733350 0.78 ESRRA (0.44) ALDH1A1MAPTLMNANR1I2NR1H4
SCHEMBL27469247 0.78 CYP3A4 (0.42) ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E
SCHEMBL10662295 0.77 HSD17B10 (0.50) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
SCHEMBL11379540 0.77 MEN1 (0.48) ALDH1A1ALOX15MAPTCYP3A4TSHR
SCHEMBL16117677 0.77 ALDH1A1 (0.48) ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122037020-A Supported catalyst, preparation method thereof and application thereof in olefin polymerization 中国石油化工股份有限公司 2026-05-15 — — CN claimed
CN-122037020-A Supported catalyst, preparation method thereof and application thereof in olefin polymerization 中国石油化工股份有限公司 2026-05-15 — — CN disclosed
CN-117820378-A Organic electroluminescent material and device thereof 北京夏禾科技有限公司 2024-04-05 — — CN disclosed
CN-112679635-B Preparation method of supported metallocene catalyst and catalyst prepared by preparation method 中国石油化工股份有限公司 2024-03-26 — — CN disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 — — US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 — — US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 — — US disclosed
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 — — US disclosed
US-20210188869-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2021-06-24 — — US disclosed
WO-2021106230-A1 NOVEL PHENOL COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2021-06-03 — — WO disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 — — US disclosed
WO-2015197028-A1 COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-12-30 — — WO disclosed
WO-2015197028-A1 COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-12-30 — — WO disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 — — US disclosed
US-20150126484-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2015-05-07 — — US disclosed
US-20150126484-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2015-05-07 — — US disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 — — US disclosed
US-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDICK A/S (DK) 2010-02-18 — — US disclosed
EP-1881961-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2008-01-30 — — EP disclosed
WO-2006120178-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2006-11-16 — — WO 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 (8 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-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885ALOX15 4573/4885SMN1; SMN2 1888/4885
US-20150126484-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY CDK6, TK1, MAP3K19 ALDH1A1 1612/4885ALOX15 3018/4885SMN1; SMN2 3614/4885
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 2706/4885ALOX15 4571/4885SMN1; SMN2 3761/4885
US-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES RPS12, GPR119, ATP12A ALDH1A1 899/4885ALOX15 467/4885SMN1; SMN2 3793/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK ALDH1A1 894/4885ALOX15 733/4885SMN1; SMN2 3624/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885ALOX15 4573/4885SMN1; SMN2 1888/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885ALOX15 4573/4885SMN1; SMN2 1888/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 ALDH1A1 525/4885ALOX15 1464/4885SMN1; SMN2 4427/4885

“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.

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