SCHEMBL4659441

SCHEMBL4659441

COC(=O)c1ccc(NC(=O)CCc2ccc(OCCCCCc3ccccc3)cc2C)cc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
CNR2 P34972 2/20 0.46
CNR1 P21554 1/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
LTA4H P09960 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
S1PR1 P21453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NR1H4 Q96RI1 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
SCHEMBL4658368 0.92 MEN1 (0.46) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL4659416 0.91 RAB9A (0.48) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL4657716 0.91 RAB9A (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL4657196 0.90 RAB9A (0.54) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL4659396 0.89 FFAR1 (0.54) RAB9ANPC1ALDH1A1HPGDCNR2
SCHEMBL4656898 0.89 FFAR1 (0.54) RAB9ANPC1ALDH1A1HPGDCNR2
SCHEMBL4658183 0.88 FFAR1 (0.55) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL4658025 0.86 ALDH1A1 (0.46) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL14544244 0.85 RAB9A (0.48) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL4659021 0.85 FFAR1 (0.52) RAB9ANPC1KMT2AALDH1A1HPGD

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 7 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-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 RAB9A 4149/4885NPC1 2652/4885MEN1 1748/4885
US-20040224941-A1 Carboxylic acid derivatives and drugs containing the same as the active ingredient EDF1, FFAR1, VCAM1 RAB9A 4064/4885NPC1 1756/4885MEN1 1352/4885

“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.