SCHEMBL3918347

SCHEMBL3918347

CC(C)c1cc(C(=O)O)ccc1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 1/20 0.59
MRGPRX4 Q96LA9 7/20 0.57
RXRA P19793 3/20 0.54
RXRB P28702 1/20 0.54
RXRG P48443 1/20 0.54
NR4A2 P43354 2/20 0.53
NR4A1 P22736 1/20 0.53
NR4A3 Q92570 1/20 0.53
PTGER1 P34995 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL8798873 0.90 GLRA1 (0.58) GLRA1MRGPRX4RXRARXRBRXRG
SCHEMBL3925722 0.89 GLRA1 (0.71) GLRA1MRGPRX4RXRARXRBRXRG
SCHEMBL10256639 0.85 ELANE (0.53) GLRA1MRGPRX4RXRARXRBRXRG
SCHEMBL16641909 0.83 GLRA1 (0.67) GLRA1MRGPRX4RXRARXRBRXRG
SCHEMBL22480760 0.83 MRGPRX4 (0.73) MRGPRX4MEN1KMT2ANPC1HPGD
SCHEMBL16860678 0.82 GLRA1 (0.79) GLRA1MRGPRX4RXRARXRBNR4A2
SCHEMBL11890579 0.82 MRGPRX4 (0.46) GLRA1MRGPRX4RXRARXRBRXRG
SCHEMBL8800593 0.82 GLRA1 (0.50) GLRA1MAPTRAB9ASMN1; SMN2
SCHEMBL17037217 0.82 MRGPRX4 (0.56) MRGPRX4RXRARXRBRXRGNR4A2
SCHEMBL8801048 0.82 FFAR4 (0.51) GLRA1RXRARXRBRXRGPTGER1

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-20090176841-A1 NOVEL 6-5 SYSTEM BICYCLIC HETEROCYCLIC DERIVATIVE AND ITS PHARMACEUTICAL UTILITY SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2009-07-09 US disclosed
EP-2036887-A1 NOVEL 6-5 BICYCIC HETEROCYCLIC DERIVATIVE AND MEDICAL USE THEREOF Sanwa Kagaku Kenkyusho Co., Ltd (JP) 2009-03-18 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-20090176841-A1 NOVEL 6-5 SYSTEM BICYCLIC HETEROCYCLIC DERIVATIVE AND ITS PHARMACEUTICAL UTILITY TSHR, TRHR, THRA GLRA1 383/4885MRGPRX4 169/4885RXRA 72/4885

“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.