SCHEMBL4817797

SCHEMBL4817797

COc1cc(C(=O)OCc2ccccc2)ccc1-c1ccc(OCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
PTGER4 P35408 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 2/20 0.45
PRKCZ Q05513 1/20 0.44
MGAM O43451 2/20 0.44
SI P14410 2/20 0.44
MGAM2 Q2M2H8 2/20 0.44
SMPD1 P17405 2/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL4816426 0.86 MAPT (0.51) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4816390 0.86 MAPT (0.46) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4815672 0.83 KMT2A (0.61) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6286657 0.83 KMT2A (0.65) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL18411547 0.82 GAA (0.56) LMNAMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL3935031 0.80 SYK (0.57) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3729736 0.78 MAPT (0.58) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL17769825 0.78 MAPT (0.61) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL18440794 0.77 BRD4 (0.47) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2590133 0.77 RAB9A (0.56) LMNANPC1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 US disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 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 (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-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A LMNA 3859/4885NPC1 3071/4885RAB9A 577/4885

“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.