SCHEMBL16710312

SCHEMBL16710312

COc1cc2c(cc1O)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc(OC)c(OC)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 15/20 1.00
TDP2 O95551 2/20 0.53
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 2/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL18326676 0.94 TDP1 (0.90) TDP1TDP2MAPK1HSD17B10LMNA
SCHEMBL18326691 0.93 TDP1 (0.86) TDP1TDP2MAPK1HSD17B10LMNA
SCHEMBL21173507 0.90 TDP1 (0.82) TDP1TDP2MAPK1HSD17B10LMNA
SCHEMBL17192726 0.90 TDP1 (0.82) TDP1TDP2MAPK1HSD17B10LMNA
SCHEMBL18319822 0.89 TDP1 (0.80) TDP1TDP2MAPK1HSD17B10LMNA
Indotecan SCHEMBL7712572 0.87 TDP1 (0.87) TDP1TDP2MAPK1HSD17B10LMNA
Indotecan SCHEMBL29409466 0.87 TDP1 (0.87) TDP1TDP2MAPK1HSD17B10LMNA
SCHEMBL18326700 0.86 TDP1 (0.76) TDP1TDP2
Bromide SCHEMBL18320288 0.86 TDP1 (0.75) TDP1TDP2
SCHEMBL18329662 0.84 TDP1 (0.72) TDP1TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160367685-A1 DUPA-INDENOISOQUINOLINE CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 US disclosed
WO-2015069766-A1 DUPA-INDENOISOQUINOLINE CONJUGATES PURDUE RESEARCH FOUNDATION (US) 2015-05-14 WO 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 (1 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-20160367685-A1 DUPA-INDENOISOQUINOLINE CONJUGATES PDS5B, KLK3, PDS5A TDP1 483/4885TDP2 311/4885MAPK1 4324/4885

“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.