SCHEMBL3192973

SCHEMBL3192973

Cc1cc(OCCO)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
MCL1 Q07820 1/20 0.37
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
NR1I2 O75469 1/20 0.36
MAOA P21397 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
HIF1A Q16665 1/20 0.35
UCHL1 P09936 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDK2 Q15119 1/20 0.34
FFAR1 O14842 1/20 0.34
LIPE Q05469 1/20 0.34
PDIA6 Q15084 1/20 0.33

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
SCHEMBL19897735 0.86 UCHL1 (0.37) CA1CA9TP53GAAMAOA
SCHEMBL1642055 0.86 MAOA (0.35) CA1CA9MAOAALDH1A1HIF1A
Hydrochloric Acid SCHEMBL19119033 0.84 MEN1 (0.37) CA1CA9ALDH1A1HIF1AUCHL1
SCHEMBL16569199 0.84 CA12 (0.37) CA1CA9CA12NR1I2MAOA
SCHEMBL19897712 0.84 PDIA6 (0.35) CA1CA9TP53GAAMAOA
SCHEMBL16637401 0.84 LIPE (0.34) HIF1AUCHL1FFAR1LIPEPDIA6
SCHEMBL31118921 0.84 NQO1 (0.39) CA1CA9CA12TP53ALDH1A1
SCHEMBL17669350 0.83 NCF1 (0.40) ALDH1A1UCHL1FFAR1PDIA6
SCHEMBL20634252 0.82 KDM4E (0.40) MAOAALDH1A1RECQLUCHL1LIPE
SCHEMBL31150271 0.82 CA1 (0.37) CA1CA9CA12MCL1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
US-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
US-20200339583-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2020-10-29 US disclosed
WO-2019073253-A1 MAP4K4 INHIBITORS IMPERIAL INNOVATIONS LIMITED (GB) 2019-04-18 WO disclosed
US-7674938-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-09 US disclosed
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. 2008-10-09 US disclosed
US-7423185-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-09-09 US 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
EP-1593666-B1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-07-02 EP 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
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 US disclosed
EP-1593666-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-11-09 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 (5 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-20200339583-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K2, MAP4K5 CA1 4427/4885CA9 4329/4885CA12 4804/4885
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A CA1 3861/4885CA9 2157/4885CA12 2610/4885
US-11795169-B2 MAP4K4 inhibitors MAP4K4, MAP4K2, MAP4K5 CA1 4427/4885CA9 4329/4885CA12 4804/4885
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A CA1 2886/4885CA9 1380/4885CA12 2510/4885
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A CA1 2886/4885CA9 1380/4885CA12 2510/4885

“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.