SCHEMBL3384889

SCHEMBL3384889

O=C1C=Cc2c(ccc3c2ccc2c4ccccc4ccc32)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.47
PAX8 Q06710 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP2A6 P11509 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1505694 0.91 ANPEP (0.41) HPRT1PAX8TDP1ALDH1A1CYP2A6
Ethylene SCHEMBL6167785 0.88 ANPEP (0.40) HPRT1PAX8TDP1ALDH1A1LMNA
SCHEMBL7773084 0.81 HPRT1 (0.44) HPRT1PAX8CYP1A2CYP2C9CYP2C19
SCHEMBL1445153 0.74 HPRT1 (0.52) HPRT1PAX8CYP1A2CYP2C9CYP2C19
SCHEMBL30516909 0.74 HPRT1 (0.52) HPRT1PAX8CYP1A2CYP2C9CYP2C19
SCHEMBL16337407 0.73 HPRT1 (0.47) HPRT1PAX8CYP1A2CYP2C9CYP2C19
SCHEMBL30783256 0.73 HPRT1 (0.47) HPRT1PAX8CYP1A2CYP2C9CYP2C19
SCHEMBL19032592 0.72 GSK3A (0.34) CYP1A2CYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL7635425 0.72 HPRT1 (0.50) HPRT1PAX8CYP1A2TDP1ALDH1A1
SCHEMBL3414799 0.71 HPRT1 (0.48) HPRT1PAX8CYP1A2CYP2C9CYP2C19

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 4487/4885CYP1A2 3407/4885

“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.