SCHEMBL17816206

SCHEMBL17816206

CC(C)(C)c1cc(C(F)(F)F)cc[n+]1[O-]

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
PTPN5 P54829 1/20 0.33
BCHE P06276 5/20 0.32
ACHE P22303 5/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
S1PR1 P21453 1/20 0.30
TACR1 P25103 1/20 0.30
PDE2A O00408 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
SCHEMBL2054688 0.86 BCHE (0.40) BCHEACHE
SCHEMBL4331680 0.76 KIF11 (0.34) KIF11PTPN5TSHRMAPK1S1PR1
SCHEMBL2145857 0.72 PDE2A (0.34) PTPN5TSHRMAPK1S1PR1PDE2A
SCHEMBL19191095 0.72 TACR1 (0.34) KIF11TSHRMAPK1GPR84TACR1
SCHEMBL25415263 0.69 TSHR (0.31) TSHRMAPK1S1PR1
SCHEMBL7412520 0.69 TSHR (0.31) TSHRMAPK1GPR84S1PR1TACR1
SCHEMBL29659111 0.68 KIF11 (0.36) KIF11TSHRMAPK1
SCHEMBL16505901 0.67 CFTR (0.49) MAPK1TACR1
SCHEMBL2635687 0.67 TACR1 (0.42) TACR1
SCHEMBL30021484 0.67 CFTR (0.49) MAPK1TACR1

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-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 KIF11 3376/4885PTPN5 997/4885BCHE 2101/4885

“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.