SCHEMBL6153433

SCHEMBL6153433

CC(C)C(O)c1cnccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.44
RPS6KA3 P51812 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
SCD O00767 1/20 0.34
SCD5 Q86SK9 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RBP4 P02753 1/20 0.33
GAA P10253 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CYP11B2 P19099 1/20 0.33
MAPT P10636 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
S1PR1 P21453 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL26272326 0.82 ALDH1A1 (0.35) NPC1POLBTRPM8SCDSCD5
SCHEMBL8327409 0.82 NPC1 (0.38) NPC1POLBTRPM8ALDH1A1RBP4
SCHEMBL12029013 0.82 RPS6KA3 (0.39) RPS6KA3NPC1POLBTRPM8SCD
SCHEMBL29435625 0.82 RPS6KA3 (0.39) RPS6KA3NPC1POLBTRPM8SCD
SCHEMBL6155126 0.79 TRPM8 (0.34) NPC1POLBTRPM8SCDSCD5
SCHEMBL24988696 0.79 ALDH1A1 (0.35) NPC1POLBTRPM8SCDSCD5
SCHEMBL6152531 0.77 CYP3A4 (0.39) NPC1POLBTRPM8SCDSCD5
SCHEMBL19997547 0.76 LIMK1 (0.36) PDE2ASCDSCD5ALDH1A1MAPT
SCHEMBL8539373 0.74 ACP3 (0.49) PDE2AALDH1A1
SCHEMBL28284286 0.73 GAA (0.37) SCDSCD5ALDH1A1RBP4GAA

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-20050239656-A1 Pyridine compounds or salts thereof and herbicides containing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-10-27 US disclosed
EP-1500650-A1 PYRIDINE COMPOUNDS OR SALTS THEREOF AND HERBICIDES CONTAINING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-01-26 EP 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-20050239656-A1 Pyridine compounds or salts thereof and herbicides containing the same CBR3, CYP2C8, ABCC8 PDE2A 2642/4885RPS6KA3 1355/4885NPC1 4627/4885

“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.