SCHEMBL4568133

SCHEMBL4568133

COC(=O)c1cccc(Cc2c(-c3ccccc3)n(C)c3cc(C(F)(F)F)ccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.47
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
MAPK8 P45983 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
KIF11 P52732 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
MAPK10 P53779 1/20 0.39
DHFR P00374 1/20 0.38
PPARG P37231 2/20 0.38
SLC7A5 Q01650 1/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL4568160 0.90 MRGPRX4 (0.44) MRGPRX4KIF11PPARG
SCHEMBL4568136 0.88 MRGPRX4 (0.51) MRGPRX4ALDH1A1GLAHPGDTDP1
SCHEMBL4568129 0.86 HPGD (0.45) ALDH1A1GLAHPGDTDP1L3MBTL1
SCHEMBL3711868 0.85 MAPK8 (0.49) MRGPRX4ALDH1A1GLAHPGDTDP1
SCHEMBL4568111 0.85 MEN1 (0.48) ALDH1A1GLAHPGDTDP1L3MBTL1
SCHEMBL4568162 0.80 MRGPRX4 (0.49) MRGPRX4PPARG
SCHEMBL4568115 0.78 MRGPRX4 (0.48) MRGPRX4LMNANR1H2NR1H3LOXL2
SCHEMBL4568144 0.77 PPARG (0.51) MRGPRX4PPARG
SCHEMBL4568156 0.77 PPARG (0.45) ALDH1A1HPGDDHFRPPARG
SCHEMBL15998618 0.76 ENPP2 (0.46) MRGPRX4ALDH1A1HPGDPPARG

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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R MRGPRX4 273/4885ALDH1A1 422/4885GLA 1892/4885

“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.