SCHEMBL1466166

SCHEMBL1466166

O=C(c1ccc(Cl)c(Cl)c1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
SRD5A2 P31213 1/20 0.50
CES1 P23141 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 2/20 0.46
ACHE P22303 2/20 0.46
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
KMO O15229 2/20 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
SCHEMBL18950066 0.86 TSHR (0.55) TSHRSRD5A2KDM4EMEN1NPC1
SCHEMBL14310499 0.84 KCNQ3 (0.46) TSHRCES1ACHE
SCHEMBL3789805 0.84 CES1 (0.45) TSHRCES1KDM4EHPGDACHE
SCHEMBL14310493 0.84 TAS1R3 (0.47) CES1MEN1NPC1MAPTRAB9A
SCHEMBL15794964 0.84 TSHR (0.53) TSHRSRD5A2KDM4EMEN1NPC1
SCHEMBL3789857 0.84 CES1 (0.45) TSHRSRD5A2CES1NPC1RAB9A
SCHEMBL10336500 0.83 TSHR (0.61) TSHRSRD5A2KDM4EMEN1NPC1
SCHEMBL24346277 0.82 ALDH1A1 (0.49) TSHRCES1HPGDACHEPOLB
SCHEMBL1861601 0.82 CES1 (0.44) TSHRCES1MAPTACHE
SCHEMBL21358311 0.82 MAPT (0.49) TSHRCES1MEN1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103635472-B Serine/threonine kinase inhibitor 阵列生物制药公司 2018-01-12 CN disclosed
US-9751821-B1 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-09-05 US disclosed
US-20170233321-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-08-17 US disclosed
US-9676692-B2 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-13 US disclosed
US-20150119576-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND NISSAN CHEMICAL CORPORATION (JP) 2015-04-30 US disclosed
US-8952175-B2 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-02-10 US disclosed
CN-101652354-B Insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG 2014-06-18 CN disclosed
EP-2681215-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-08 EP disclosed
US-8372867-B2 Insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG (DE) 2013-02-12 US disclosed
WO-2012118850-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-09-07 WO disclosed
US-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds BAYER CROPSCIENCE AG 2011-03-24 US disclosed
EP-2254863-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS Bayer CropScience AG (DE) 2010-12-01 EP disclosed
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CORPSCIENCE AG (DE) 2010-07-15 US disclosed
US-20100137612-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND FOR PRODUCTION OF 2- PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZLINE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-03 US disclosed
EP-2181100-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES Bayer CropScience AG (DE) 2010-05-05 EP disclosed
EP-2172462-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND, AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2010-04-07 EP disclosed
WO-2009112275-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-09-17 WO disclosed
WO-2008122375-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-10-16 WO disclosed
US-5008277-A For controlling insects in agriculture FMC CORPORATION (US) 1991-04-16 US disclosed
US-4870089-A N-[(alpha-perhaloalkylbenzyloxy)pyridyl]-N'-benzoylurea insecticides FMC CORPORATION (US) 1989-09-26 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 (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-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds DDT, PRDX4, CYP4X1 TSHR 834/4885SRD5A2 4076/4885CES1 3711/4885
US-20150119576-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND ADH1C, ADH1A, CYP2E1 TSHR 1379/4885SRD5A2 328/4885CES1 350/4885
US-20100137612-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND FOR PRODUCTION OF 2- PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZLINE COMPOUND ADH1C, CYP2E1, ADH1A TSHR 1480/4885SRD5A2 412/4885CES1 185/4885
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES CYP4X1, AADAC, CYP3A7 TSHR 953/4885SRD5A2 3212/4885CES1 285/4885
US-20170233321-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND ADH1C, ADH1A, CYP2E1 TSHR 1379/4885SRD5A2 328/4885CES1 350/4885

“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.