SCHEMBL13802492

SCHEMBL13802492

O=C(O)Cc1cccc(-c2cccc(F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
PTGS2 P35354 1/20 0.55
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FFAR1 O14842 1/20 0.50
AKR1B1 P15121 1/20 0.50
ENPP2 Q13822 1/20 0.50
PTGER2 P43116 1/20 0.49
SRC P12931 1/20 0.49
DCLRE1B Q9H816 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49

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
SCHEMBL4209300 0.91 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29459926 0.91 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9113 0.89 AKR1B1 (0.58) KDM4EFFAR1AKR1B1SRCNR4A2
SCHEMBL539023 0.88 ABCC4 (0.67) KDM4ESMN1; SMN2FFAR1SRCDCLRE1B
SCHEMBL5269627 0.88 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL2531929 0.87 AKR1B1 (0.56) FFAR1AKR1B1SRCNR4A2TAAR1
SCHEMBL28032595 0.87 LMNA (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Methane SCHEMBL9654819 0.86 ABCC4 (0.65) KDM4ESMN1; SMN2FFAR1SRCDCLRE1B
SCHEMBL4440065 0.86 NR3C1 (0.52) KDM4ESMN1; SMN2FFAR1GAA
SCHEMBL4440751 0.85 KAT6A (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 GRIN2D 634/4885GRIN3B 574/4885GRIN1 1179/4885

“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.