SCHEMBL16649152

SCHEMBL16649152

COc1cc(C=O)c(N)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
TDP1 Q9NUW8 2/20 0.57
KDM4E B2RXH2 2/20 0.57
TSHR P16473 1/20 0.57
TRIM24 O15164 2/20 0.49
TRIM33 Q9UPN9 2/20 0.49
HPGD P15428 2/20 0.49
AOX1 Q06278 1/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
ERN1 O75460 10/20 0.47
PRKDC P78527 2/20 0.47
TYR P14679 1/20 0.44
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
MAPT P10636 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL27614940 0.93 ALDH1A1 (0.52) ALDH1A1TDP1KDM4ETSHRTRIM24
SCHEMBL29957578 0.93 ALDH1A1 (0.52) ALDH1A1TDP1KDM4ETSHRTRIM24
SCHEMBL1002368 0.86 ALDH1A1 (0.69) ALDH1A1TDP1KDM4ETSHRTRIM24
SCHEMBL29459727 0.86 ALDH1A1 (0.69) ALDH1A1TDP1KDM4ETSHRTRIM24
SCHEMBL27753912 0.84 ALDH1A1 (0.72) ALDH1A1TDP1KDM4ETSHRHPGD
SCHEMBL1570740 0.84 ALDH1A1 (0.72) ALDH1A1TDP1KDM4ETSHRHPGD
SCHEMBL31469616 0.84 ALDH1A1 (0.72) ALDH1A1TDP1KDM4ETSHRHPGD
SCHEMBL1004432 0.82 ALDH1A1 (0.57) ALDH1A1TDP1KDM4ETSHRTRIM24
SCHEMBL29459687 0.82 ALDH1A1 (0.57) ALDH1A1TDP1KDM4ETSHRTRIM24
SCHEMBL29955145 0.82 ALDH1A1 (0.63) ALDH1A1TDP1KDM4ETSHRHPGD

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-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 US disclosed
US-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 US disclosed
US-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 US disclosed
EP-2862571-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (MN) 2015-04-22 EP disclosed
EP-2862571-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (MN) 2015-04-22 EP 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-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF TOP2A, TOP2B, TYMP ALDH1A1 1386/4885TDP1 432/4885KDM4E 4067/4885

“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.