SCHEMBL5209142

SCHEMBL5209142

Cn1cccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.47
PCSK9 Q8NBP7 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2A13 Q16696 1/20 0.44
BACE1 P56817 1/20 0.41
GLO1 Q04760 1/20 0.40
JAK2 O60674 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38
DYRK1A Q13627 2/20 0.37
DYRK2 Q92630 2/20 0.37
DYRK3 O43781 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
PTGS2 P35354 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL21319700 0.83 ALDH1A1 (0.43) KIF11PCSK9ALDH1A1CYP2A6CYP2A13
SCHEMBL11359663 0.78 PCSK9 (0.50) PCSK9ALDH1A1CYP2A6CYP2A13NPC1
SCHEMBL30729513 0.77 KIF11 (0.47) KIF11ALDH1A1GLO1
SCHEMBL28310880 0.75 PCSK9 (0.52) PCSK9ALDH1A1CYP2A6CYP2A13NPC1
SCHEMBL6444709 0.74 PCSK9 (0.73) PCSK9ALDH1A1CYP2A6CYP2A13NPC1
SCHEMBL3188837 0.74 PCSK9 (0.50) PCSK9ALDH1A1CYP2A6CYP2A13NPC1
SCHEMBL6285619 0.71 PTGS2 (0.48) ALDH1A1TSHRPTGS2
SCHEMBL28173139 0.71 PCSK9 (0.47) PCSK9ALDH1A1CYP2A6CYP2A13NPC1
SCHEMBL11356121 0.71 PCSK9 (0.47) PCSK9ALDH1A1CYP2A6CYP2A13BACE1
SCHEMBL26529342 0.71 PCSK9 (0.47) KIF11PCSK9ALDH1A1CYP2A6CYP2A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223791-B2 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-29 US disclosed
US-20040157881-A1 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
EP-1405636-A1 FUNCTION REGULATOR FOR RETINOID RELATIVE RECEPTOR Takeda Chemical Industries, Ltd. (JP) 2004-04-07 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-20040157881-A1 Function regulator for retinoid relative receptor RXRA, RARA, RARG KIF11 4429/4885PCSK9 2077/4885ALDH1A1 700/4885

“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.