SCHEMBL9951091

SCHEMBL9951091

Cc1cccc(C(=O)NCCC(=O)O)c1.Cc1cccc(NCCC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KCNK3 O14649 3/20 0.51
KCNK9 Q9NPC2 3/20 0.51
KCNH2 Q12809 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
POLB P06746 1/20 0.51
FFAR1 O14842 1/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 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
SCHEMBL3199124 0.90 NPC1 (0.68) GAANPC1RAB9AMAPTMEN1
SCHEMBL3199664 0.87 MAPT (0.67) GAANPC1RAB9ACYP1A2CYP3A4
SCHEMBL16724721 0.85 GAA (0.64) GAANPC1RAB9AMEN1KMT2A
SCHEMBL12900992 0.82 NPC1 (0.65) GAANPC1RAB9AMEN1KMT2A
SCHEMBL10661831 0.81 LMNA (0.68) GAANPC1RAB9ACYP1A2CYP2C9
SCHEMBL9717417 0.80 ITGB3 (0.65) GAANPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL27273483 0.80 LMNA (0.71) GAANPC1RAB9ACYP1A2CYP2C9
SCHEMBL18030725 0.79 NPC1 (0.54) GAANPC1RAB9ACYP1A2CYP3A4
SCHEMBL27823613 0.79 GAA (0.67) GAANPC1RAB9AMAPTMEN1
SCHEMBL1285808 0.78 NPC1 (0.63) NPC1RAB9AMEN1KMT2AKCNK3

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-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 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-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 GAA 40/4885NPC1 3438/4885RAB9A 3250/4885

“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.