SCHEMBL173087

SCHEMBL173087

COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OCCN

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.78
TP53 P04637 3/20 0.78
HSD17B10 Q99714 3/20 0.78
MAPT P10636 3/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
LMNA P02545 2/20 0.78
CYP1A2 P05177 1/20 0.78
HIF1A Q16665 1/20 0.78
PSMB11 A5LHX3 1/20 0.78
PSMA7 O14818 1/20 0.78
NPC1 O15118 1/20 0.78
FOXO3 O43524 1/20 0.78
MITF O75030 1/20 0.78
CYP3A4 P08684 1/20 0.78
PSMB1 P20618 1/20 0.78
PSMA1 P25786 1/20 0.78
PSMA2 P25787 1/20 0.78
PSMA3 P25788 1/20 0.78
PSMA4 P25789 1/20 0.78
PSMB8 P28062 1/20 0.78

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
SCHEMBL98548 0.95 ALDH1A1 (0.71) ALDH1A1TP53HSD17B10MAPTSMN1; SMN2
SCHEMBL254123 0.95 ALDH1A1 (0.71) ALDH1A1TP53HSD17B10MAPTSMN1; SMN2
SCHEMBL19295194 0.91 ALDH1A1 (0.80) ALDH1A1TP53HSD17B10MAPTSMN1; SMN2
SCHEMBL15444232 0.89 ALDH1A1 (0.77) ALDH1A1TP53HSD17B10MAPTSMN1; SMN2
SCHEMBL173090 0.88 ALDH1A1 (0.83) ALDH1A1TP53HSD17B10MAPTSMN1; SMN2
Piplartine SCHEMBL2465593 0.88 ALDH1A1 (1.00) ALDH1A1TP53HSD17B10MAPTSMN1; SMN2
Piplartine SCHEMBL173092 0.88 ALDH1A1 (1.00) ALDH1A1TP53HSD17B10MAPTSMN1; SMN2
(Z)-Piplartine SCHEMBL30013548 0.88 ALDH1A1 (1.00) ALDH1A1TP53HSD17B10MAPTSMN1; SMN2
SCHEMBL173089 0.88 ALDH1A1 (0.75) ALDH1A1TP53HSD17B10MAPTSMN1; SMN2
SCHEMBL15444220 0.88 ALDH1A1 (0.75) ALDH1A1TP53HSD17B10MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10548911-B2 Small molecule anti-scarring agents UNIVERSITY OF ROCHESTER (US) 2020-02-04 US disclosed
US-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS UNIVERSITY OF ROCHESTER (US) 2017-08-03 US disclosed
WO-2015195684-A2 SMALL MOLECULE ANTI-SCARRING AGENTS UNIVERSITY OF ROCHESTER (US) 2015-12-23 WO 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
WO-2011028860-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CANCER CANTHERA THERAPEUTICS, INC. (US) 2011-03-10 WO disclosed
US-20110053938-A1 Compounds and Compositions For Treating Cancer CANTHERA THERAPEUTICS, INC. (US) 2011-03-03 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-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS COLGALT1, MMP1, FIBP ALDH1A1 970/4885TP53 2310/4885HSD17B10 1565/4885
US-20120059004-A1 Compounds And Compositions For Treating Cancer NQO1, HCCS, TXNRD2 ALDH1A1 503/4885TP53 7/4885HSD17B10 1659/4885
US-20130203757-A1 Compounds And Compositions For Treating Cancer NQO1, HCCS, TXNRD2 ALDH1A1 503/4885TP53 7/4885HSD17B10 1659/4885
US-20110053938-A1 Compounds and Compositions For Treating Cancer NQO1, HCCS, TXNRD2 ALDH1A1 503/4885TP53 7/4885HSD17B10 1659/4885
US-20130237539-A1 Compounds and Compositions for Treating Cancer NQO1, HCCS, TXNRD2 ALDH1A1 503/4885TP53 7/4885HSD17B10 1659/4885
US-20120157455-A1 Compounds And Compositions For Treating Cancer NQO1, HCCS, TXNRD2 ALDH1A1 503/4885TP53 7/4885HSD17B10 1659/4885
US-10548911-B2 Small molecule anti-scarring agents COLGALT1, MMP1, FIBP ALDH1A1 970/4885TP53 2310/4885HSD17B10 1565/4885

“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.