SCHEMBL16077682

SCHEMBL16077682

CC(C)Oc1cc(C(=O)O)ccc1CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 3/20 0.52
KMT2A Q03164 2/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
TPMT P51580 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
EP300 Q09472 3/20 0.45
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 1/20 0.45
TSHR P16473 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 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
SCHEMBL2589062 0.87 ALDH1A1 (0.50) ACE2KMT2ACA12CA1CA2
SCHEMBL16370064 0.86 KMT2A (0.49) ACE2KMT2ACA12CA1CA2
SCHEMBL2424457 0.81 CA12 (0.65) ACE2CA12CA1CA2CA4
SCHEMBL3545163 0.81 KMT2A (0.58) KMT2ACA12CA1CA2CA4
SCHEMBL16370073 0.81 EP300 (0.47) KMT2ACA12CA1CA2CA4
SCHEMBL16077683 0.79 TSHR (0.64) ACE2KMT2ACA12CA1CA2
SCHEMBL11672654 0.78 HTT (0.66) KMT2ACA12CA1CA2CA4
SCHEMBL2536664 0.78 KMT2A (0.55) KMT2ACA12CA1CA2CA4
SCHEMBL27747073 0.78 ALDH1A1 (0.56) ACE2KMT2ACA12CA1CA2
SCHEMBL16369652 0.77 EP300 (0.63) KMT2ACA12CA1CA2CA4

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 2 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-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US 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 ACE2 1481/4885KMT2A 929/4885CA12 4808/4885

“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.