SCHEMBL574172

SCHEMBL574172

C=Cc1cccc(C=C)c1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
NFE2L2 Q16236 3/20 0.38
TSHR P16473 1/20 0.35
ERN1 O75460 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL16955799 0.88 ALDH1A1 (0.38) ALDH1A1NFE2L2ERN1
SCHEMBL21397242 0.88 ERN1 (0.47) ALDH1A1TSHRERN1TDP1MEN1
SCHEMBL466535 0.87 NFE2L2 (0.44) ALDH1A1NFE2L2ERN1
SCHEMBL29620247 0.87 NFE2L2 (0.44) ALDH1A1NFE2L2ERN1
SCHEMBL2945596 0.83 ALDH1A1 (0.38) ALDH1A1NFE2L2LMNA
SCHEMBL16955108 0.83 ALDH1A1 (0.38) ALDH1A1NFE2L2
SCHEMBL9245053 0.83 ALDH1A1 (0.60) ALDH1A1NFE2L2TSHRTDP1MEN1
SCHEMBL1466885 0.83 ALDH1A1 (0.38) ALDH1A1NFE2L2TSHRTDP1
SCHEMBL16956536 0.83 ERN1 (0.40) ALDH1A1ERN1TDP1LMNABLM
SCHEMBL7542304 0.83 ALDH1A1 (0.38) ALDH1A1NFE2L2TSHRTDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8969498-B2 Compositions and method of inhibiting polymerization of vinyl-aryl monomers DOW GLOBAL TECHNOLOGIES LLC (US) 2015-03-03 US disclosed
CN-103124745-B Compositions and method of inhibiting polymerization of vinyl-aryl monomers DOW GLOBAL TECHNOLOGIES LLC (US) 2014-10-29 CN disclosed
EP-2585490-B1 COMPOSITIONS AND METHOD OF INHIBITING POLYMERIZATION OF VINYL-ARYL MONOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2014-07-02 EP disclosed
US-20130158203-A1 COMPOSITIONS AND METHOD OF INHIBITING POLYMERIZATION OF VINYL-ARYL MONOMERS CARNEGIE MELLON UNIVERSITY (US) 2013-06-20 US disclosed
CN-103124745-A Compositions and method of inhibiting polymerization of vinyl-aryl monomers DOW GLOBAL TECHNOLOGIES LLC 2013-05-29 CN disclosed
EP-2585490-A1 COMPOSITIONS AND METHOD OF INHIBITING POLYMERIZATION OF VINYL-ARYL MONOMERS Dow Global Technologies LLC (US) 2013-05-01 EP disclosed
WO-2012018650-A1 COMPOSITIONS AND METHOD OF INHIBITING POLYMERIZATION OF VINYL-ARYL MONOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-02-09 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 (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-20130158203-A1 COMPOSITIONS AND METHOD OF INHIBITING POLYMERIZATION OF VINYL-ARYL MONOMERS PCNA, MKI67, VCL ALDH1A1 1937/4885NFE2L2 3684/4885TSHR 4782/4885

“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.