SCHEMBL16400968

SCHEMBL16400968

Cn1nc2c(c1-c1ccc(OC(F)(F)F)cc1)COc1cc(C=O)ccc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
SLC34A1 Q06495 2/20 0.35
TDP2 O95551 1/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
KDM5A P29375 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MGLL Q99685 1/20 0.34
SCN9A Q15858 2/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SCN1A P35498 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
SCHEMBL16401033 0.90 SLC34A1 (0.35) ALDH1A1RAB9ASLC34A1TDP2PDE3B
SCHEMBL16401143 0.85 SLC34A1 (0.36) ALDH1A1RAB9ASLC34A1TDP2PDE3B
SCHEMBL16401563 0.82 KDM4E (0.38) SLC34A1TDP2KDM5AKDM2BKDM4C
SCHEMBL19315839 0.81 MAPT (0.36) ALDH1A1RAB9ASLC34A1MAPTKDM4E
SCHEMBL19315935 0.77
SCHEMBL16400815 0.77 HTR2A (0.32) HTR2AMAPT
SCHEMBL16400819 0.77 LMNA (0.42) ALDH1A1RAB9AMAPT
SCHEMBL16400817 0.77 LMNA (0.42) ALDH1A1RAB9AMAPT
SCHEMBL16401153 0.77 HTT (0.38) RAB9AMAPT
SCHEMBL16401155 0.77 HTT (0.38) RAB9AMAPT

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 ALDH1A1 2336/4885RAB9A 197/4885SLC34A1 3942/4885

“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.