SCHEMBL4088100

SCHEMBL4088100

CCCOc1ccc(/C(=C/C=C/C(=O)O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.61
CYP1B1 Q16678 5/20 0.61
MAOB P27338 3/20 0.48
PLK1 P53350 1/20 0.46
PPARA Q07869 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4088102 1.00 CYP1A1 (0.61) CYP1A1CYP1B1MAOBPLK1PPARA
SCHEMBL4088098 1.00 CYP1A1 (0.61) CYP1A1CYP1B1MAOBPLK1PPARA
SCHEMBL3940154 0.90 CYP1A1 (0.59) CYP1A1CYP1B1MAOBPLK1NR4A1
SCHEMBL3940152 0.90 CYP1A1 (0.59) CYP1A1CYP1B1MAOBPLK1NR4A1
SCHEMBL3940151 0.90 CYP1A1 (0.59) CYP1A1CYP1B1MAOBPLK1NR4A1
SCHEMBL3947604 0.89 CYP1A1 (0.48) CYP1A1CYP1B1MAOBPPARACTDSP1
SCHEMBL3944645 0.89 CYP1A1 (0.60) CYP1A1CYP1B1MAOBPLK1PPARA
SCHEMBL3944652 0.89 CYP1A1 (0.60) CYP1A1CYP1B1MAOBPLK1PPARA
SCHEMBL3947596 0.89 CYP1A1 (0.48) CYP1A1CYP1B1MAOBPPARACTDSP1
SCHEMBL3947600 0.89 CYP1A1 (0.48) CYP1A1CYP1B1MAOBPPARACTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 CYP1A1 916/4885CYP1B1 382/4885MAOB 747/4885

“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.