SCHEMBL418896

SCHEMBL418896

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
KIF11 P52732 1/20 0.44
TTR P02766 2/20 0.42
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
PTGS2 P35354 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL5360083 0.87 LMNA (0.47) LMNAMAPK1HTTRAB9AKIF11
SCHEMBL850429 0.86 KIF11 (0.57) LMNAMAPK1HTTRAB9AKIF11
SCHEMBL29620952 0.86 KIF11 (0.57) LMNAMAPK1HTTRAB9AKIF11
Hydrochloric Acid SCHEMBL31439018 0.85 KIF11 (0.56) LMNAMAPK1HTTRAB9AKIF11
SCHEMBL16104820 0.83 LMNA (0.51) LMNAMAPK1HTTRAB9AKIF11
SCHEMBL11977452 0.81 LMNA (0.53) LMNAMAPK1HTTRAB9AKIF11
SCHEMBL12491995 0.79 ACE2 (0.53) LMNAMAPK1HTTRAB9AKIF11
SCHEMBL18671808 0.75 RAB9A (0.47) LMNAMAPK1HTTRAB9AKIF11
SCHEMBL27151 0.74 CES2 (0.70) LMNAMAPK1HTTRAB9ATTR
SCHEMBL29349680 0.74 CES2 (0.70) LMNAMAPK1HTTRAB9ATTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595955-B1 (4-HALOGENALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER IP GMBH (DE) 2016-11-30 EP disclosed
EP-2595963-B1 4-(4-HALOGENALKYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER IP GMBH (DE) 2014-11-12 EP disclosed
US-8603947-B2 (4-haloalkyl-3-thiobenzoyl)cyclohexanediones and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2013-12-10 US disclosed
US-8536097-B2 4-(4-haloalkyl-3-thiobenzoyl)pyrazoles and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2013-09-17 US disclosed
EP-2595955-A1 (4-HALOGENALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-05-29 EP disclosed
EP-2595963-A1 4-(4-HALOGENALKYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-05-29 EP disclosed
US-20120021904-A1 (4-HALOALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 US disclosed
US-20120021903-A1 4-(4-HALOALKYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 US disclosed
WO-2012010573-A1 4-(4-HALOGENALKYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 WO disclosed
WO-2012010575-A1 (4-HALOGENALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 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 (2 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-20120021904-A1 (4-HALOALKYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES CBR3, CBR1, CYP8B1 LMNA 4571/4885MAPK1 4127/4885HTT 774/4885
US-20120021903-A1 4-(4-HALOALKYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES CBR3, CYP4X1, PRDX4 LMNA 4717/4885MAPK1 3767/4885HTT 556/4885

“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.