SCHEMBL16202040

SCHEMBL16202040

Cc1ccc(-n2ccc(OC(F)F)n2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 2/20 0.36
NOTUM Q6P988 1/20 0.36
RXRA P19793 7/20 0.36
GRIN1 Q05586 7/20 0.36
GRIN2B Q13224 7/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SIGMAR1 Q99720 4/20 0.34
KCNH2 Q12809 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL16202039 0.81 ALDH1A1 (0.40) ALDH1A1NPC1NOTUMMEN1KMT2A
SCHEMBL28330107 0.76 CYP2C9 (0.40) ALDH1A1NPC1GAAMAPT
SCHEMBL16202041 0.74 ALDH1A1 (0.38) ALDH1A1NPC1NOTUMMEN1KMT2A
SCHEMBL24051565 0.73 RXRA (0.35) ALDH1A1RXRAGRIN1GRIN2BKMT2A
SCHEMBL15984869 0.73 HTT (0.50) ALDH1A1NPC1NOTUMMEN1KMT2A
SCHEMBL15980626 0.71 NOTUM (0.40) ALDH1A1NPC1NOTUMMEN1KMT2A
SCHEMBL16202042 0.71 MAPT (0.52) ALDH1A1NPC1NOTUMMEN1KMT2A
SCHEMBL44771 0.70 ALDH1A1 (0.49) ALDH1A1NPC1NOTUMMEN1KMT2A
SCHEMBL19119906 0.68 GRM5 (0.38) GRIN1GRIN2B
SCHEMBL6819010 0.68 KMT2A (0.36) RXRAGRIN1GRIN2BKMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 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 (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-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB ALDH1A1 2278/4885NPC1 601/4885NOTUM 3419/4885

“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.