SCHEMBL3301833

SCHEMBL3301833

Cc1cc(Oc2cccc(C(C)(C)C)c2)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.46
EPAS1 Q99814 1/20 0.43
PTGES O14684 2/20 0.41
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
TTR P02766 1/20 0.38
PPOX P50336 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PARP1 P09874 1/20 0.36
AR P10275 1/20 0.36
ESRRA P11474 1/20 0.36

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
SCHEMBL5179247 0.87 ALDH1A1 (0.41) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4607970 0.83 MAPT (0.47) SERPINE1EPAS1PTGESMAPTSMN1; SMN2
SCHEMBL3303072 0.79 L3MBTL1 (0.44) EPAS1MAPTALDH1A1NPSR1AR
SCHEMBL6567167 0.75 MAPT (0.49) PTGESMAPTSMN1; SMN2LMNAMEN1
SCHEMBL18321198 0.75 TBXA2R (0.41) EPAS1MAPTLMNAALDH1A1POLB
SCHEMBL131957 0.74 MAPT (0.45) MAPTLMNAALDH1A1TTRTDP1
SCHEMBL6488771 0.74 TDP1 (0.47) EPAS1MEN1KMT2ATTRPPOX
SCHEMBL1340465 0.72 POLB (0.56) SERPINE1PTGESMAPTSMN1; SMN2LMNA
SCHEMBL13881915 0.72 LMNA (0.55) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL17472467 0.72 MAPT (0.49) MAPTSMN1; SMN2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134170-B1 FLUORALKYLPHENYLAMIDINES AND THEIR USE AS FUNGICIDES BAYER IP GMBH (DE) 2015-06-03 EP disclosed
US-8299301-B2 Fluoralkylphenylamidines and the use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2012-10-30 US disclosed
US-20100093534-A1 FLUORALKYLPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-15 US disclosed
EP-1969931-A1 Fluoroalkyl phenylamidines and their use as fungicides Bayer CropScience Aktiengesellschaft (DE) 2008-09-17 EP 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 (1 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-20100093534-A1 FLUORALKYLPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES PFAS, DDT, PAH SERPINE1 2546/4885EPAS1 4524/4885PTGES 3650/4885

“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.