SCHEMBL4658990

SCHEMBL4658990

CCOC(=O)c1cc(C(=O)NCCc2ccc(OCCCCCc3ccccc3)cc2)cc(C(=O)OCC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
S1PR1 P21453 3/20 0.51
S1PR3 Q99500 1/20 0.51
S1PR5 Q9H228 1/20 0.51
LTA4H P09960 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
PPARG P37231 1/20 0.49
FFAR1 O14842 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
ALOX12 P18054 1/20 0.48

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
SCHEMBL4657049 0.87 MEN1 (0.65) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4658105 0.84 KDM5B (0.63) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL449653 0.84 MEN1 (0.64) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4658285 0.84 MEN1 (0.64) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL437736 0.83 NPC1 (0.64) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4373451 0.82 KMT2A (0.61) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL453480 0.82 MEN1 (0.61) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4657756 0.82 NPC1 (0.58) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4657634 0.81 LTA4H (0.59) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4657655 0.80 KMT2A (0.59) NPC1RAB9AKMT2AMEN1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391199-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2008-12-10 EP disclosed
US-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-04-19 US disclosed
US-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-04-19 US disclosed
US-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-04-19 US disclosed
US-7179817-B2 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-7179817-B2 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-7179817-B2 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20040224941-A1 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-11 US disclosed
EP-1391199-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-02-25 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 (2 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-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient EDF1, FFAR1, EDNRA NPC1 2652/4885RAB9A 4149/4885KMT2A 4772/4885
US-20040224941-A1 Carboxylic acid derivatives and drugs containing the same as the active ingredient EDF1, FFAR1, VCAM1 NPC1 1756/4885RAB9A 4064/4885KMT2A 4829/4885

“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.