SCHEMBL3193276

SCHEMBL3193276

CC12OC1C(=O)c1c(O)cccc1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
MAPT P10636 6/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 5/20 0.42
RECQL P46063 5/20 0.42
IDO1 P14902 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
MEN1 O00255 4/20 0.42
HPGD P15428 3/20 0.42
ALOX15 P16050 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP3A4 P08684 3/20 0.42
USP2 O75604 3/20 0.42
TRPA1 O75762 2/20 0.42
TP53 P04637 2/20 0.42

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
SCHEMBL10554849 0.76 MEN1 (0.43) CA1CA2CA7CA9MAPT
SCHEMBL19891984 0.70 CA1 (0.53) CA1CA2CA7CA9MAPT
SCHEMBL3427256 0.69 RAB9A (0.43) CA1CA2CA7CA9MAPT
SCHEMBL13898179 0.67 CA1 (0.39) CA1CA2CA7CA9MAPT
SCHEMBL9389657 0.65 MAOA (0.54) CA1CA2CA7CA9MAPT
SCHEMBL15642543 0.65 CA1 (1.00) CA1CA2CA7CA9MAPT
SCHEMBL18971656 0.61 CA1 (0.46) CA1CA2CA7CA9MAPT
SCHEMBL5080247 0.61 CA1 (0.42) CA1CA2CA7CA9MAPT
SCHEMBL6824008 0.61 CA1 (0.42) CA1CA2CA7CA9MAPT
Anthrarufin SCHEMBL187843 0.61 MAOA (1.00) MAPTKMT2AKDM4ERECQLIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180049997-A1 CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) INHIBITION IN THE TREATMENT OF CANCER KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2018-02-22 US disclosed
US-20180049997-A1 CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) INHIBITION IN THE TREATMENT OF CANCER KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2018-02-22 US disclosed
US-9890106-B2 Anti-cancer lead molecule KING ABDULLAH UNIVERSITY OF SCIENCE & TECHNOLOGY (SA) 2018-02-13 US disclosed
WO-2016135633-A1 CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) INHIBITION IN THE TREATMENT OF CANCER KING ABDULLAH UNIVERSITY OF SCIENCE & TECHNOLOGY (SA) 2016-09-01 WO disclosed
US-20140107196-A1 ANTI-CANCER LEAD MOLECULE KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2014-04-17 US disclosed
US-20140107196-A1 ANTI-CANCER LEAD MOLECULE KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2014-04-17 US disclosed
US-20100028469-A1 Extracts of Cranberry and Methods of Using Thereof HERBALSCIENCE GROUP, LLC (US) 2010-02-04 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 (2 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-20140107196-A1 ANTI-CANCER LEAD MOLECULE ACAT2, BRCA1, ALPG CA1 4395/4885CA2 4843/4885CA7 4567/4885
US-20180049997-A1 CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) INHIBITION IN THE TREATMENT OF CANCER CETP, LCAT, MTTP CA1 3578/4885CA2 3018/4885CA7 2185/4885

“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.