SCHEMBL98536

SCHEMBL98536

COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(C)c1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.76
TP53 P04637 3/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
MAPT P10636 2/20 0.76
HSD17B10 Q99714 2/20 0.76
CYP1A2 P05177 2/20 0.76
CYP3A4 P08684 2/20 0.76
LMNA P02545 2/20 0.76
STAT3 P40763 2/20 0.76
HIF1A Q16665 1/20 0.76
PSMB11 A5LHX3 1/20 0.76
PSMA7 O14818 1/20 0.76
NPC1 O15118 1/20 0.76
FOXO3 O43524 1/20 0.76
MITF O75030 1/20 0.76
PSMB1 P20618 1/20 0.76
PSMA1 P25786 1/20 0.76
PSMA2 P25787 1/20 0.76
PSMA3 P25788 1/20 0.76
PSMA4 P25789 1/20 0.76

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
SCHEMBL173088 0.93 ALDH1A1 (0.82) ALDH1A1TP53SMN1; SMN2MAPTHSD17B10
SCHEMBL25283508 0.93 ALDH1A1 (0.82) ALDH1A1TP53SMN1; SMN2MAPTHSD17B10
SCHEMBL98524 0.90 ALDH1A1 (0.77) ALDH1A1TP53SMN1; SMN2MAPTHSD17B10
SCHEMBL12675623 0.89 ALDH1A1 (0.87) ALDH1A1TP53SMN1; SMN2MAPTHSD17B10
Piplartine SCHEMBL173092 0.86 ALDH1A1 (1.00) ALDH1A1TP53SMN1; SMN2MAPTHSD17B10
Piplartine SCHEMBL2465593 0.86 ALDH1A1 (1.00) ALDH1A1TP53SMN1; SMN2MAPTHSD17B10
(Z)-Piplartine SCHEMBL30013548 0.86 ALDH1A1 (1.00) ALDH1A1TP53SMN1; SMN2MAPTHSD17B10
SCHEMBL17472039 0.85 ALDH1A1 (0.70) ALDH1A1TP53SMN1; SMN2MAPTHSD17B10
SCHEMBL98534 0.84 ALDH1A1 (0.75) ALDH1A1TP53SMN1; SMN2MAPTHSD17B10
SCHEMBL15432074 0.83 ALDH1A1 (0.67) ALDH1A1TP53SMN1; SMN2MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108923-B2 Compounds, compositions, and methods for cancer therapy HOWARD HUGHES MEDICAL INSTITUTE (US) 2015-08-18 US disclosed
US-20140024639-A1 Compounds, Compositions, and Methods for Cancer Therapy NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-01-23 US disclosed
US-20130237539-A1 Compounds and Compositions for Treating Cancer THE GENERAL HOSPITAL CORPORATION (US) 2013-09-12 US disclosed
US-20130203757-A1 Compounds And Compositions For Treating Cancer THE GENERAL HOSPITAL CORPORATION (US) 2013-08-08 US disclosed
US-8349832-B2 Compounds and compositions for treating cancer Canthera Therapeutics (US) 2013-01-08 US disclosed
US-8318737-B2 Compounds and compositions for treating cancer CANTHERA THERAPEUTICS INC. (US) 2012-11-27 US disclosed
US-20120157455-A1 Compounds And Compositions For Treating Cancer CANTHERA THERAPEUTICS, INC. (US) 2012-06-21 US disclosed
US-20120059004-A1 Compounds And Compositions For Treating Cancer CANTHERA THERAPEUTICS, INC. (US) 2012-03-08 US disclosed
US-20110053938-A1 Compounds and Compositions For Treating Cancer CANTHERA THERAPEUTICS, INC. (US) 2011-03-03 US disclosed
US-20090312373-A1 METHODS FOR THE TREATMENT OF CANCER USING PIPERLONGUMINE AND PIPERLONGUMINE ANALOGS THE GENERAL HOSPITAL CORPORATION (US) 2009-12-17 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 (7 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-20090312373-A1 METHODS FOR THE TREATMENT OF CANCER USING PIPERLONGUMINE AND PIPERLONGUMINE ANALOGS VHL, DHFR, THPO ALDH1A1 305/4885TP53 54/4885SMN1; SMN2 4212/4885
US-20140024639-A1 Compounds, Compositions, and Methods for Cancer Therapy MCL1, TP53, VHL ALDH1A1 710/4885TP53 2/4885SMN1; SMN2 3402/4885
US-20120059004-A1 Compounds And Compositions For Treating Cancer NQO1, HCCS, TXNRD2 ALDH1A1 503/4885TP53 7/4885SMN1; SMN2 1285/4885
US-20130203757-A1 Compounds And Compositions For Treating Cancer NQO1, HCCS, TXNRD2 ALDH1A1 503/4885TP53 7/4885SMN1; SMN2 1285/4885
US-20110053938-A1 Compounds and Compositions For Treating Cancer NQO1, HCCS, TXNRD2 ALDH1A1 503/4885TP53 7/4885SMN1; SMN2 1285/4885
US-20130237539-A1 Compounds and Compositions for Treating Cancer NQO1, HCCS, TXNRD2 ALDH1A1 503/4885TP53 7/4885SMN1; SMN2 1285/4885
US-20120157455-A1 Compounds And Compositions For Treating Cancer NQO1, HCCS, TXNRD2 ALDH1A1 503/4885TP53 7/4885SMN1; SMN2 1285/4885

“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.