SCHEMBL4145608

SCHEMBL4145608

CCCOc1cc2c(cc1-c1ccccc1C(=O)O)O2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.51
PTGER1 P34995 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
PTK2B Q14289 1/20 0.42
MEN1 O00255 1/20 0.41
HIF1A Q16665 1/20 0.41
STK17B O94768 1/20 0.41
EIF4A1 P60842 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
FOLH1 Q04609 1/20 0.40
CYP2C9 P11712 1/20 0.39
IDO1 P14902 1/20 0.39
TP53 P04637 1/20 0.39
MAPK8 P45983 1/20 0.39
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL10751518 0.82 PTPN11 (0.56) PTPN11PTGER1MAPK1KMT2AALDH1A1
Hydroquinone SCHEMBL8945656 0.77 LTA4H (0.44) PTPN11KMT2AALDH1A1TP53PDE10A
SCHEMBL4154550 0.75 PTPN11 (0.49) PTPN11PTGER1MAPK1KMT2AALDH1A1
SCHEMBL124950 0.75 ALDH1A1 (0.71) PTPN11KMT2AALDH1A1PTK2BMEN1
SCHEMBL31643582 0.75 ALDH1A1 (0.71) PTPN11KMT2AALDH1A1PTK2BMEN1
SCHEMBL10750541 0.75 PTPN11 (0.64) PTPN11PTGER1MAPK1KMT2AALDH1A1
Bicarbonate SCHEMBL236595 0.74 ALDH1A1 (0.69) PTPN11KMT2AALDH1A1PTK2BMEN1
Bicarbonate SCHEMBL21753663 0.74 ALDH1A1 (0.69) PTPN11KMT2AALDH1A1PTK2BMEN1
Bicarbonate SCHEMBL29943695 0.74 ALDH1A1 (0.69) PTPN11KMT2AALDH1A1PTK2BMEN1
SCHEMBL28219872 0.74 ALDH1A1 (0.69) PTPN11KMT2AALDH1A1PTK2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030218-A1 Method For Producing Aminoalcohol Derivative Having Biphenyl Group KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-01-29 US claimed
EP-1932826-A1 METHOD FOR PRODUCING AMINOALCOHOL DERIVATIVE HAVING BIPHENYL GROUP Kissei Pharmaceutical Co., Ltd. (JP) 2008-06-18 EP claimed
US-20090030218-A1 Method For Producing Aminoalcohol Derivative Having Biphenyl Group KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-01-29 US disclosed
EP-1932826-A1 METHOD FOR PRODUCING AMINOALCOHOL DERIVATIVE HAVING BIPHENYL GROUP Kissei Pharmaceutical Co., Ltd. (JP) 2008-06-18 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-20090030218-A1 Method For Producing Aminoalcohol Derivative Having Biphenyl Group ALDH7A1, DDC, ADH5 PTPN11 3466/4885PTGER1 3154/4885MAPK1 4175/4885

“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.