SCHEMBL9946093

SCHEMBL9946093

CCCc1ccc(OCc2cccc(B(C)C)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.58
MAOB P27338 9/20 0.48
FFAR1 O14842 3/20 0.44
FFAR4 Q5NUL3 2/20 0.43
AKR1B1 P15121 1/20 0.43
TP53 P04637 2/20 0.43
PKM P14618 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL9946094 0.83 LPL (0.47) MAOBFFAR1
SCHEMBL10784840 0.77 LTA4H (0.64) MAOBFFAR1FFAR4SMN1; SMN2RAB9A
SCHEMBL16440937 0.77 APP (0.56) MAOBFFAR1
SCHEMBL22151428 0.75 LMNA (0.58) ENPP2MAOBTP53PKMNFKB1
SCHEMBL2555065 0.75 ENPP2 (0.71) ENPP2MAOBTP53PKMNFKB1
SCHEMBL3918100 0.74 CYP4F2 (0.56) MAOBFFAR1FFAR4TP53PKM
SCHEMBL9946072 0.74 ENPP2 (0.46) ENPP2MAOBFFAR1TP53PKM
SCHEMBL3920928 0.74 MRGPRX4 (0.56) MAOBFFAR1FFAR4TP53PKM
SCHEMBL3762431 0.74 SMPD1 (0.55) MAOBTP53SMN1; SMN2
SCHEMBL9893590 0.73 ENPP2 (1.00) ENPP2MAOBFFAR1FFAR4AKR1B1

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ENPP2 147/4885MAOB 780/4885FFAR1 1083/4885

“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.