SCHEMBL1937101

SCHEMBL1937101

O=c1c2ccc(N3CCCC3)cc2oc2cc(N3CCCC3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
ERCC1 P07992 1/20 0.45
DNASE1 P24855 1/20 0.45
FEN1 P39748 1/20 0.45
ERCC4 Q92889 1/20 0.45
ALDH1A1 P00352 3/20 0.45
TERT O14746 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
XDH P47989 4/20 0.43
ACHE P22303 1/20 0.43
CHRNA7 P36544 1/20 0.43
KCNH2 Q12809 1/20 0.43
IP6K1 Q92551 2/20 0.42
IP6K3 Q96PC2 1/20 0.42
MAOA P21397 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL32677438 1.00 HSD17B10 (0.53) HSD17B10ERCC1DNASE1FEN1ERCC4
SCHEMBL1937493 0.98 HSD17B10 (0.51) HSD17B10ERCC1DNASE1FEN1ERCC4
SCHEMBL25107807 0.96 HSD17B10 (0.49) HSD17B10ERCC1DNASE1FEN1ERCC4
SCHEMBL19642427 0.92 MAOA (0.55) HSD17B10ALDH1A1MEN1MAPTKMT2A
SCHEMBL2400184 0.91 PRKDC (0.51) HSD17B10ERCC1DNASE1FEN1ERCC4
SCHEMBL2436551 0.89 ALDH1A1 (0.47) HSD17B10ERCC1DNASE1FEN1ERCC4
SCHEMBL24518077 0.89 ALDH1A1 (0.48) HSD17B10ALDH1A1MEN1MAPTALOX15
SCHEMBL1938064 0.86 SLC16A3 (0.51) ALDH1A1MEN1MAPTKMT2APRKDC
SCHEMBL15992772 0.85 CHRNA7 (0.49) ALDH1A1MEN1MAPTKMT2AXDH
SCHEMBL12298174 0.85 MAPT (0.56) ALDH1A1MEN1MAPTKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212955-A1 ROSAMINE DERIVATIVES AS AGENTS FOR THE TREATMENT OF CANCER CANCER RESEARCH INITIATIVES FOUNDATION (MY) 2011-09-01 US disclosed
EP-2331520-A1 ROSAMINE DERIVATIVES AS AGENTS FOR THE TREATMENT OF CANCER Cancer Research Initiative Foundation (MY) 2011-06-15 EP disclosed
WO-2010033011-A1 ROSAMINE DERIVATIVES AS AGENTS FOR THE TREATMENT OF CANCER CANCER RESEARCH INITIATIVES FOUNDATION (MY) 2010-03-25 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-20110212955-A1 ROSAMINE DERIVATIVES AS AGENTS FOR THE TREATMENT OF CANCER LTB4R, LTB4R2, NR1H3 HSD17B10 454/4885ERCC1 1354/4885DNASE1 1646/4885

“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.