SCHEMBL16473011

SCHEMBL16473011

CC1=CC(=O)c2c(OC(=O)c3ccccc3)cccc2C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 1/20 0.64
▸ MAPT P10636 6/20 0.61
▸ ALDH1A1 P00352 5/20 0.61
▸ LMNA P02545 4/20 0.61
▸ HTT P42858 2/20 0.61
▸ APAF1 O14727 1/20 0.61
▸ MITF O75030 1/20 0.61
▸ KMT2A Q03164 9/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ TP53 P04637 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ CYP1A2 P05177 3/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ HSPD1 P10809 2/20 0.52
▸ CDC25A P30304 2/20 0.52
▸ CDC25B P30305 2/20 0.52
▸ BLM P54132 2/20 0.52

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
SCHEMBL16473010 0.83 ALDH1A1 (0.68) TOP1MAPTALDH1A1LMNAHTT
SCHEMBL6367155 0.82 TOP1 (0.69) TOP1MAPTALDH1A1LMNAHTT
SCHEMBL11524597 0.80 TOP1 (0.66) TOP1MAPTALDH1A1LMNAHTT
SCHEMBL16473004 0.80 ALDH1A1 (0.62) TOP1MAPTALDH1A1LMNAHTT
SCHEMBL16473005 0.80 ALDH1A1 (0.62) TOP1MAPTALDH1A1LMNAHTT
SCHEMBL12827331 0.79 TOP1 (1.00) TOP1MAPTALDH1A1LMNAKMT2A
SCHEMBL17594035 0.78 ALDH1A1 (0.61) TOP1MAPTALDH1A1LMNAHTT
SCHEMBL15994240 0.78 MAPT (0.61) TOP1MAPTALDH1A1LMNAHTT
SCHEMBL9627716 0.76 ALDH1A1 (1.00) TOP1MAPTALDH1A1LMNAHTT
SCHEMBL30003269 0.76 ALDH1A1 (1.00) TOP1MAPTALDH1A1LMNAHTT

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
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

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 TOP1 2029/4885MAPT 1522/4885ALDH1A1 127/4885
US-20180049997-A1 CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) INHIBITION IN THE TREATMENT OF CANCER CETP, LCAT, MTTP TOP1 2193/4885MAPT 2961/4885ALDH1A1 3140/4885

“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.

Send feedback