SCHEMBL16401240

SCHEMBL16401240

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
S1PR3 Q99500 10/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
KCNH2 Q12809 1/20 0.35
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL16400797 0.92 CYP1A2 (0.48) S1PR1CYP1A2CYP2D6IP6K1IP6K3
SCHEMBL16409669 0.90 CYP1A2 (0.44) S1PR1CYP1A2CYP2D6IP6K1IP6K3
SCHEMBL16401663 0.89 IP6K1 (0.43) S1PR1CYP1A2CYP2D6IP6K1IP6K3
SCHEMBL16400700 0.84 CYP1A2 (0.45) S1PR1CYP1A2CYP2D6IP6K1IP6K3
SCHEMBL19315816 0.83 S1PR1 (0.38) S1PR1CYP1A2CYP2D6IP6K1IP6K3
SCHEMBL16400173 0.81 CYP1A2 (0.48) S1PR1CYP1A2CYP2D6IP6K1IP6K3
SCHEMBL1814428 0.79 S1PR1 (0.68) S1PR1IP6K1IP6K3IP6K2S1PR3
SCHEMBL1811502 0.78 S1PR1 (0.58) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL19315819 0.78 S1PR1 (0.36) S1PR1CYP1A2CYP2D6IP6K1IP6K3
SCHEMBL1815710 0.77 S1PR1 (0.61) S1PR1CYP1A2CYP2D6S1PR3CYP3A4

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 S1PR1 903/4885CYP1A2 371/4885CYP2D6 1489/4885

“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.