SCHEMBL167101

SCHEMBL167101

CC(=O)/C=C/c1c(F)cccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.56
TDP1 Q9NUW8 2/20 0.50
KRAS P01116 1/20 0.50
GLA P06280 1/20 0.50
IAPP P10997 1/20 0.47
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX12 P18054 1/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 2/20 0.46
NFE2L2 Q16236 2/20 0.45
MDM4 O15151 1/20 0.45
MDM2 Q00987 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOB P27338 1/20 0.44
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
KCNH2 Q12809 2/20 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
SCHEMBL167102 1.00 ABCG2 (0.56) ABCG2TDP1KRASGLAIAPP
SCHEMBL18135275 0.89 IAPP (0.54) ABCG2TDP1KRASGLAIAPP
SCHEMBL1405023 0.87 SMN1; SMN2 (0.63) TDP1HPGDLMNASMN1; SMN2ALOX12
SCHEMBL1405022 0.87 SMN1; SMN2 (0.63) TDP1HPGDLMNASMN1; SMN2ALOX12
SCHEMBL29090928 0.84 KDM4E (0.57) ABCG2KRASHPGDLMNASMN1; SMN2
SCHEMBL3574506 0.83 ABCG2 (0.59) ABCG2TDP1KRASHPGDLMNA
SCHEMBL3574508 0.83 ABCG2 (0.59) ABCG2TDP1KRASHPGDLMNA
SCHEMBL1226433 0.81 ABCG2 (0.58) ABCG2KRASHPGDLMNASMN1; SMN2
SCHEMBL1226435 0.81 ABCG2 (0.58) ABCG2KRASHPGDLMNASMN1; SMN2
SCHEMBL5750500 0.79 ABCG2 (0.56) ABCG2KRASHPGDLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9131693-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-09-15 US disclosed
EP-2611297-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-06-17 EP disclosed
US-20140221448-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-07 US disclosed
US-8754115-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-17 US disclosed
EP-2611297-A1 FUNGICIDAL PYRAZOLES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP disclosed
US-20130143940-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US disclosed
WO-2012030922-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 WO disclosed
EP-1286955-B1 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2005-02-02 EP disclosed
EP-1286955-A1 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES Dow AgroSciences LLC (US) 2003-03-05 EP disclosed
US-6348627-B1 CONTROLLING PHYTOPATHOGENIC FUNGI DOW AGROSCIENCES LLC 2002-02-19 US disclosed
WO-2002012172-A1 UNSATURATED OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2002-02-14 WO disclosed
WO-2001087826-A1 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES ROHM AND HAAS COMPANY (US) 2001-11-22 WO disclosed
US-6303818-B1 Unsaturated oxime ethers and their use as fungicides DOW AGROSCIENCES LLC 2001-10-16 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 (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-20140221448-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 ABCG2 883/4885TDP1 891/4885KRAS 2752/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 ABCG2 883/4885TDP1 891/4885KRAS 2752/4885

“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.