SCHEMBL17947397

SCHEMBL17947397

COB(OC)c1ccc2ccc3c(B(OC)OC)ccc4ccc1c2c43

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL14983521 0.92 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL14379329 0.73 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL14379331 0.73 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL2597530 0.73 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL14983516 0.71 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL13998386 0.71 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL22095384 0.70 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL14983520 0.69 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL14983513 0.67 CYP1A2 (0.42) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL14983519 0.67 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988403-B2 Compositions and methods for treating cancer with aberrant lipogenic signaling THOMAS JEFFERSON UNIVERSITY (US) 2018-06-05 US disclosed
US-9988403-B2 Compositions and methods for treating cancer with aberrant lipogenic signaling THOMAS JEFFERSON UNIVERSITY (US) 2018-06-05 US disclosed
US-9750758-B2 Compositions and methods for treating cancer with aberrant lipogenic signaling THOMAS JEFFERSON UNIVERSITY (US) 2017-09-05 US disclosed
US-9750758-B2 Compositions and methods for treating cancer with aberrant lipogenic signaling THOMAS JEFFERSON UNIVERSITY (US) 2017-09-05 US disclosed
US-20170166593-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER WITH ABERRANT LIPOGENIC SIGNALING THOMAS JEFFERSON UNIVERSITY (US) 2017-06-15 US disclosed
US-20170166593-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER WITH ABERRANT LIPOGENIC SIGNALING THOMAS JEFFERSON UNIVERSITY (US) 2017-06-15 US disclosed
US-20160215002-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER WITH ABERRANT LIPOGENIC SIGNALING THOMAS JEFFERSON UNIVERSITY (US) 2016-07-28 US disclosed
US-20160215002-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER WITH ABERRANT LIPOGENIC SIGNALING THOMAS JEFFERSON UNIVERSITY (US) 2016-07-28 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-20160215002-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER WITH ABERRANT LIPOGENIC SIGNALING SREBF1, SREBF2, OSBP ALDH1A1 2147/4885HPGD 3030/4885HSD17B10 303/4885
US-20170166593-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER WITH ABERRANT LIPOGENIC SIGNALING SREBF1, SREBF2, OSBP ALDH1A1 2014/4885HPGD 3100/4885HSD17B10 292/4885

“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.