SCHEMBL8158740

SCHEMBL8158740

COc1cc(Br)cc(OC)c1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
NQO2 P16083 2/20 0.41
APP P05067 3/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PRNP P04156 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PIM1 P11309 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
PRKDC P78527 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35

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
SCHEMBL17515971 0.88 ERN1 (0.40) ERN1ALOX15ALOX12NQO2APP
SCHEMBL19468429 0.86 NQO2 (0.44) ERN1ALOX15ALOX12NQO2APP
SCHEMBL15821778 0.84 ERN1 (0.38) ERN1ALOX15ALOX12NQO2APP
SCHEMBL16269387 0.84 ERN1 (0.38) ERN1ALOX15ALOX12NQO2APP
SCHEMBL31034989 0.80 ERN1 (0.64) ERN1ALOX15MAPTALDH1A1PRKDC
SCHEMBL31035696 0.80 ERN1 (0.35) ERN1ALOX15ALOX12NQO2APP
SCHEMBL31035462 0.78 HSD17B10 (0.54) ERN1APPPOLBMAPTNPSR1
SCHEMBL28771987 0.78 ERN1 (0.47) ERN1ALOX15ALOX12NQO2APP
SCHEMBL27743867 0.78 MAPT (0.38) APPMAPTNPSR1ALDH1A1
SCHEMBL27030179 0.77 ALDH1A1 (0.44) ERN1ALOX15POLBL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458958-B Herbicidal propynyl-phenyl compounds 先正达参股股份有限公司 2020-07-10 CN disclosed
US-10662138-B2 Herbicidal propynyl-phenyl compounds SYNGENTA PARTICIPATIONS AG (CH) 2020-05-26 US disclosed
US-10662138-B2 Herbicidal propynyl-phenyl compounds SYNGENTA PARTICIPATIONS AG (CH) 2020-05-26 US disclosed
EP-3160950-B1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 EP disclosed
EP-3160950-B1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 EP disclosed
US-20170183281-A1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-06-29 US disclosed
US-20170183281-A1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-06-29 US disclosed
US-20170183281-A1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-06-29 US disclosed
EP-3160950-A1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS Syngenta Participations AG (CH) 2017-05-03 EP disclosed
WO-2015197468-A1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-12-30 WO disclosed
WO-2015197468-A1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-12-30 WO disclosed
US-8420830-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 US disclosed
US-8420830-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
WO-2008079836-A2 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 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 (3 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-10662138-B2 Herbicidal propynyl-phenyl compounds CBR3, CBR1, CNPY3 ERN1 1193/4885ALOX15 843/4885ALOX12 858/4885
US-20170183281-A1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS CBR3, CBR1, CNPY3 ERN1 1193/4885ALOX15 843/4885ALOX12 858/4885
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F5 ERN1 1645/4885ALOX15 2168/4885ALOX12 1583/4885

“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.