SCHEMBL3384886

SCHEMBL3384886

O=C1C=c2ccc3c(ccc4c5ccccc5ccc34)c2=CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 5/20 0.45
PAX8 Q06710 1/20 0.43
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3287319 0.92 PAX8 (0.38) HPRT1PAX8ALDH1A1TDP1HSD17B10
SCHEMBL994780 0.78 PAX8 (0.38) HPRT1PAX8ALDH1A1TDP1HSD17B10
Hydrochloric Acid SCHEMBL25188851 0.77 PAX8 (0.37) HPRT1PAX8ALDH1A1TDP1HSD17B10
SCHEMBL23840 0.74 ALDH1A1 (0.47) HPRT1PAX8ALDH1A1TDP1HSD17B10
SCHEMBL5313840 0.74 ALDH1A1 (0.47) HPRT1PAX8ALDH1A1TDP1HSD17B10
SCHEMBL27337795 0.74 HPRT1 (0.54) HPRT1PAX8ALDH1A1TDP1HSD17B10
SCHEMBL11504266 0.72 HPRT1 (0.45) HPRT1PAX8ALDH1A1TDP1HSD17B10
Ethylene Glycol SCHEMBL18525382 0.69 ALDH1A1 (0.41) HPRT1PAX8ALDH1A1TDP1HSD17B10
Ethylene SCHEMBL28814532 0.67 HPRT1 (0.88) HPRT1PAX8ALDH1A1TDP1HSD17B10
Chrysene SCHEMBL27115 0.67 HPRT1 (1.00) HPRT1PAX8ALDH1A1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100068302-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L. (ES) 2010-03-18 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-20100068302-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER ASAH1, ACER2, ASAH2 HPRT1 981/4885PAX8 4487/4885ALDH1A1 1928/4885

“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.