SCHEMBL3941610

SCHEMBL3941610

CC(C)Oc1ccccc1C(=CC=CC(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
KCNK3 O14649 2/20 0.39
KCNK9 Q9NPC2 2/20 0.39
CYP1A1 P04798 4/20 0.39
CYP1B1 Q16678 4/20 0.39
MAOB P27338 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
SLC6A9 P48067 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL3941605 1.00 RXFP1 (0.43) RXFP1IRAK4KCNK3KCNK9CYP1A1
SCHEMBL3941608 1.00 RXFP1 (0.43) RXFP1IRAK4KCNK3KCNK9CYP1A1
SCHEMBL4094783 0.87 CYP1A1 (0.44) RXFP1CYP1A1CYP1B1MAOBNR4A1
SCHEMBL4094788 0.87 CYP1A1 (0.44) RXFP1CYP1A1CYP1B1MAOBNR4A1
SCHEMBL4094791 0.87 CYP1A1 (0.44) RXFP1CYP1A1CYP1B1MAOBNR4A1
SCHEMBL3939989 0.84 HPGD (0.44) RXFP1KCNK3KCNK9CYP1A1CYP1B1
SCHEMBL3939986 0.84 HPGD (0.44) RXFP1KCNK3KCNK9CYP1A1CYP1B1
SCHEMBL3939990 0.84 HPGD (0.44) RXFP1KCNK3KCNK9CYP1A1CYP1B1
SCHEMBL3943274 0.82 KMT2A (0.47) CYP1A1CYP1B1MAOBNR4A1NR4A2
SCHEMBL3943273 0.82 KMT2A (0.47) CYP1A1CYP1B1MAOBNR4A1NR4A2

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-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 RXFP1 65/4885IRAK4 2758/4885KCNK3 1857/4885

“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.