SCHEMBL17024331

SCHEMBL17024331

Cc1cc(C(C)(N)O)ccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.55
FFAR4 Q5NUL3 5/20 0.53
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
VDR P11473 1/20 0.43
LIPE Q05469 1/20 0.43
FFAR1 O14842 2/20 0.43
C5AR1 P21730 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5697264 0.87 MRGPRX4 (0.46) MRGPRX4MAPTTDP1L3MBTL1MAPK1
SCHEMBL12295554 0.84 MRGPRX4 (0.68) MRGPRX4FFAR4MAPTTDP1L3MBTL1
SCHEMBL17024333 0.83 RXRA (0.56) MRGPRX4RXRARXRBRXRGC5AR1
SCHEMBL20059953 0.82 FFAR4 (0.53) MRGPRX4FFAR4MAPTTDP1L3MBTL1
SCHEMBL3980539 0.81 FFAR4 (0.52) MRGPRX4FFAR4MAPTTDP1L3MBTL1
SCHEMBL18703359 0.80 MRGPRX4 (0.61) MRGPRX4FFAR4MAPTTDP1L3MBTL1
SCHEMBL17024339 0.78 LMNA (0.58) MAPTL3MBTL1RXRARXRBCYP2C19
SCHEMBL24820795 0.78 MRGPRX4 (0.57) MRGPRX4FFAR4MAPTTDP1L3MBTL1
SCHEMBL1285894 0.78 FFAR4 (0.61) MRGPRX4FFAR4MAPTTDP1L3MBTL1
SCHEMBL9631198 0.77 MEN1 (0.53) MAPTL3MBTL1CYP2C19SMN1; SMN2

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-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 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-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 MRGPRX4 155/4885FFAR4 457/4885MAPT 3767/4885

“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.