SCHEMBL4811287

SCHEMBL4811287

Cc1cc(-c2cccc(C(=O)O)c2)cc(C)c1OCCO

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.51
KMO O15229 2/20 0.50
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
PTPN11 Q06124 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
NR4A2 P43354 1/20 0.44
NR1H4 Q96RI1 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
SCHEMBL3182619 0.84 RXRA (0.53) RXRARXRB
SCHEMBL4818369 0.82 RAB9A (0.53) MRGPRX4KMT2ANPC1ALDH1A1RAB9A
SCHEMBL7112190 0.81 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1GAA
SCHEMBL4815947 0.79 HSD17B1 (0.51) ALDH1A1
SCHEMBL4820077 0.76 PPARG (0.67)
SCHEMBL30350581 0.75 KMO (0.63) MRGPRX4KMORXRARXRBLMNA
SCHEMBL29054110 0.75 KMO (0.63) MRGPRX4KMORXRARXRBLMNA
SCHEMBL16429234 0.74 KMO (0.87) KMORXRARXRBLMNAGAA
SCHEMBL10012987 0.74 KMO (0.79) KMORXRARXRBLMNAGAA
SCHEMBL71238 0.74 KMO (0.86) KMORXRARXRBLMNAGAA

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 MRGPRX4 401/4885KMO 1271/4885RXRA 455/4885

“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.