SCHEMBL5300850

SCHEMBL5300850

COc1cc(C(=O)O)ccc1OCc1ccccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.68
MRGPRX4 Q96LA9 1/20 0.64
NR4A2 P43354 2/20 0.60
RAB9A P51151 5/20 0.60
NPC1 O15118 3/20 0.60
TSHR P16473 1/20 0.59
S1PR1 P21453 2/20 0.59
S1PR5 Q9H228 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
HTT P42858 1/20 0.58
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56
TPMT P51580 1/20 0.56

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
SCHEMBL14907057 0.88 POLB (0.61) HDAC8MRGPRX4NR4A2RAB9ANPC1
SCHEMBL12432458 0.85 HDAC8 (0.59) HDAC8NR4A2RAB9ANPC1S1PR1
SCHEMBL19075721 0.82 HDAC8 (0.69) HDAC8RAB9ANPC1S1PR1SMN1; SMN2
SCHEMBL242563 0.82 MRGPRX4 (0.77) HDAC8MRGPRX4RAB9ANPC1TSHR
SCHEMBL11277266 0.81 MRGPRX4 (0.75) HDAC8MRGPRX4RAB9ANPC1TSHR
SCHEMBL10719824 0.80 KMT2A (0.65) HDAC8RAB9ASMN1; SMN2HTTMAPT
SCHEMBL14650267 0.79 MAPT (0.67) HDAC8RAB9ANPC1S1PR1S1PR5
SCHEMBL19075720 0.79 HDAC8 (0.55) HDAC8RAB9ANPC1S1PR1S1PR5
SCHEMBL19083771 0.79 HDAC8 (0.60) HDAC8RAB9ANPC1S1PR1S1PR5
SCHEMBL14906965 0.78 MRGPRX4 (1.00) HDAC8MRGPRX4NR4A2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
WO-2013063243-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS NEW YORK UNIVERSITY (US) 2013-05-02 WO disclosed
WO-2007017092-A1 SUBSTITUTED 4-BENZYLOXY-BENZOIC ACID AMIDE DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-02-15 WO 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-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS ALDOA, DERA, TALDO1 HDAC8 1444/4885MRGPRX4 2444/4885NR4A2 4181/4885

“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.