SCHEMBL18260237

SCHEMBL18260237

c1ccc(-c2c(-c3cc(-c4ccc5ccccc5c4-c4ccccc4)cc(-c4ccc5ccccc5c4-c4ccccc4)c3)ccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 4/20 0.44
ALOX5 P09917 1/20 0.44
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
CYP1B1 Q16678 2/20 0.43
HIF1A Q16665 1/20 0.43
WDR5 P61964 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 1/20 0.41
MPI P34949 1/20 0.41
GPR84 Q9NQS5 2/20 0.41
HPRT1 P00492 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
SCHEMBL30034855 0.91 DNMT1 (0.48) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL191449 0.91 DNMT1 (0.48) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
Ammonia Solution, Strong SCHEMBL12818906 0.89 DNMT1 (0.47) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
Phosphine SCHEMBL28227864 0.89 DNMT1 (0.47) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
Methane SCHEMBL28083172 0.89 DNMT1 (0.47) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
Hydrogen Sulfide SCHEMBL28212457 0.89 DNMT1 (0.47) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL31690700 0.87 DNMT1 (0.40) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL29321981 0.86 DNMT1 (0.44) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL17442108 0.85 ALDH1A1 (0.50) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL31603915 0.85 ALDH1A1 (0.50) DNMT1ALDH1A1HSD17B10CYP2A6TSHR

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-9708351-B2 Alkenes as alkyne equivalents in radical cascades terminated by fragmentations The Florida State University Research Foundation, Inc. (US) 2017-07-18 US disclosed
US-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS The Florida State University Research Foundation, Inc. 2016-12-01 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 (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-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS AOC3, OR51E2, AOC2 DNMT1 920/4885ALDH1A1 913/4885HSD17B10 826/4885

“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.