SCHEMBL447379

SCHEMBL447379

O=C(O)C(C(=O)O)C1(Cc2ccc(Br)cc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.45
ITGB1 P05556 2/20 0.38
ITGA4 P13612 2/20 0.38
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 1/20 0.36
MAPK1 P28482 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
LDHA P00338 1/20 0.35

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
SCHEMBL446627 0.86 MME (0.39) MMENPC1EPHX1
SCHEMBL21061397 0.81 ADRB2 (0.41) MMEITGB1ITGA4
SCHEMBL446219 0.81 FPR2 (0.39) MMESMN1; SMN2EPHX1MAPK1
SCHEMBL444879 0.72 MAPK1 (0.56) MMENPC1HPGDSMN1; SMN2MAPK1
SCHEMBL28841070 0.71 MME (0.44) MMEITGB1ITGA4NPC1HPGD
SCHEMBL6523 0.70 MME (0.40) MMENPC1HPGDSMN1; SMN2EPHX1
SCHEMBL28840772 0.70 MME (0.46) MMEITGB1ITGA4NPC1HPGD
SCHEMBL3044036 0.70 GRIN2D (0.49) MMENPC1HPGDSMN1; SMN2
SCHEMBL446074 0.69 L3MBTL1 (0.38) MMESMN1; SMN2MAPK1
SCHEMBL16040906 0.67 ADRB2 (0.44) MMENPC1HPGDSMN1; SMN2MAPK1

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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 WO 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 MME 50/4885ITGB1 4417/4885ITGA4 4859/4885

“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.