SCHEMBL3413489

SCHEMBL3413489

CC(=O)C(C)(C)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MIF P14174 1/20 0.45
TSHR P16473 2/20 0.43
FFAR2 O15552 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
PPARA Q07869 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42

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
SCHEMBL9293066 0.88 KMT2A (0.46) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL8160579 0.84 MEN1 (0.56) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL697244 0.82 MAP4K4 (0.55) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL3443562 0.82 MEN1 (0.54) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL11303263 0.80 KMT2A (0.58) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL2799510 0.80 KMT2A (0.63) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL13313605 0.79 ESR1 (0.54) MEN1KMT2ATSHRCYP3A4MAPT
SCHEMBL1107165 0.79 TSHR (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13312851 0.78 CYP2C9 (0.55) MEN1KMT2ARAB9ASMN1; SMN2CYP2C9
SCHEMBL6671431 0.78 KMT2A (0.50) MEN1KMT2APOLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11000033-B2 Ketone or oxime compound, and herbicide NISSAN CHEMICAL CORPORATION (JP) 2021-05-11 US disclosed
US-20190053488-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL CORPORATION (JP) 2019-02-21 US disclosed
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-12-07 US disclosed
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-12-07 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
EP-3235799-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2017-10-25 EP disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
WO-2016098899-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE 日産化学工業株式会社 2016-06-23 WO disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 US disclosed
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 WO disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
US-7566683-B2 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-07-28 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-01 US disclosed
US-4814340-A 1,4-diaryl alkane derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1989-03-21 US disclosed
US-4661501-A Certain aryl-alkane-2-pyridyloxy-phenyl derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1987-04-28 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 (10 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-11000033-B2 Ketone or oxime compound, and herbicide OR10J3, CYP1B1, CBR3 MEN1 3295/4885KMT2A 357/4885POLB 1846/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS MEN1 4867/4885KMT2A 4516/4885POLB 1431/4885
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R MEN1 1210/4885KMT2A 914/4885POLB 3362/4885
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL MEN1 2568/4885KMT2A 3127/4885POLB 2608/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS MEN1 4867/4885KMT2A 4516/4885POLB 1431/4885
US-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB MEN1 1852/4885KMT2A 2755/4885POLB 1658/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MEN1 4867/4885KMT2A 4516/4885POLB 1431/4885
US-20190053488-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE OR10J3, CYP1B1, CBR3 MEN1 3264/4885KMT2A 357/4885POLB 1859/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MEN1 4867/4885KMT2A 4516/4885POLB 1431/4885
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE OR10J3, CYP1B1, CBR3 MEN1 3264/4885KMT2A 357/4885POLB 1859/4885

“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.