SCHEMBL4815310

SCHEMBL4815310

CCOc1cc(-c2ccc(OCCOCc3ccccc3)cc2)ccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.58
RARA P10276 1/20 0.58
ADRB3 P13945 8/20 0.54
MCL1 Q07820 2/20 0.54
ADRB1 P08588 7/20 0.53
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
PTK2B Q14289 1/20 0.44
DHODH Q02127 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 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
SCHEMBL4808772 0.90 RARB (0.49) RARBRARAADRB3MCL1ADRB1
SCHEMBL6498950 0.82 ADRB3 (0.60) ADRB3MCL1ADRB1ALDH1A1SMN1; SMN2
SCHEMBL29032384 0.81 PARP15 (0.48) RARBRARAMCL1POLBALDH1A1
SCHEMBL2769244 0.79 ADRB1 (0.55) RARBRARAADRB3MCL1ADRB1
SCHEMBL1316077 0.78 MCL1 (0.71) MCL1POLBALDH1A1KDM4EMRGPRX4
SCHEMBL31406535 0.77 ALDH1A1 (0.56) ADRB3MCL1POLBALDH1A1SMN1; SMN2
SCHEMBL6496898 0.77 KDM4E (0.53) RARBRARAADRB3ADRB1ALDH1A1
SCHEMBL7865011 0.76 MAOB (0.68) RARBALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL19133762 0.76 NR4A2 (0.58) RARBMCL1KMT2APKMMRGPRX4
SCHEMBL17177743 0.76 MCL1 (0.76) MCL1POLBALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968991-A1 BIS-PLATINUM COMPLEXES WITH ANTITUMOR ACTIVITY Sede Secondaria Della Cell Therapeutics, Inc. (IT) 2008-09-17 EP disclosed
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
WO-2007071415-A1 BIS-PLATINUM COMPLEXES WITH ANTITUMOR ACTIVITY CELL THERAPEUTICS, INC. - SEDE SECONDARIA (IT) 2007-06-28 WO 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 RARB 667/4885RARA 630/4885ADRB3 5/4885

“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.