SCHEMBL16401663

SCHEMBL16401663

O=Cc1ccc2c(c1)CCc1c-2noc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.43
IP6K3 Q96PC2 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
S1PR1 P21453 15/20 0.42
S1PR3 Q99500 9/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
KCNH2 Q12809 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL16400173 0.92 CYP1A2 (0.48) IP6K1IP6K3IP6K2CYP1A2CYP2D6
SCHEMBL16409669 0.90 CYP1A2 (0.44) IP6K1IP6K3IP6K2CYP1A2CYP2D6
SCHEMBL16401240 0.89 S1PR1 (0.44) IP6K1IP6K3IP6K2CYP1A2CYP2D6
SCHEMBL16400700 0.84 CYP1A2 (0.45) IP6K1IP6K3IP6K2CYP1A2CYP2D6
SCHEMBL19315816 0.83 S1PR1 (0.38) IP6K1IP6K3IP6K2CYP1A2CYP2D6
SCHEMBL16400797 0.81 CYP1A2 (0.48) IP6K1IP6K3IP6K2CYP1A2CYP2D6
SCHEMBL16400145 0.80 HRH3 (0.34) IP6K1IP6K3IP6K2S1PR1S1PR3
SCHEMBL16401563 0.79 KDM4E (0.38) S1PR1KDM4E
SCHEMBL1814046 0.79 S1PR1 (0.68) IP6K1IP6K3IP6K2S1PR1S1PR3
SCHEMBL1812952 0.78 S1PR1 (0.61) S1PR1S1PR3CYP3A4CYP2C8KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP disclosed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US disclosed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 US disclosed
EP-3022185-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2016-05-25 EP disclosed
WO-2015007682-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2015-01-22 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-20160157491-A1 Pesticide Compounds C1R, C1S, CBR3 IP6K1 3185/4885IP6K3 2198/4885IP6K2 3272/4885

“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.