SCHEMBL16337407

SCHEMBL16337407

O=C1C=Cc2ccc3c(ccc4c5ccccc5ccc34)c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.47
PAX8 Q06710 1/20 0.44
CES1 P23141 1/20 0.44
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 4/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
HIF1A Q16665 2/20 0.42
HPGD P15428 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
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP2A6 P11509 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
SCHEMBL30783256 1.00 HPRT1 (0.47) HPRT1PAX8CES1ALDH1A1CYP1A2
SCHEMBL994781 0.91 CES1 (0.47) HPRT1PAX8CES1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL25188850 0.90 CES1 (0.46) PAX8CES1ALDH1A1CYP1A2CYP2C9
SCHEMBL30541938 0.74 HPRT1 (0.52) HPRT1PAX8CES1ALDH1A1CYP1A2
SCHEMBL30446008 0.74 HPRT1 (0.52) HPRT1PAX8CES1ALDH1A1CYP1A2
SCHEMBL12475251 0.74 HPRT1 (0.52) HPRT1PAX8CES1ALDH1A1CYP1A2
SCHEMBL159626 0.74 HPRT1 (0.52) HPRT1PAX8CES1ALDH1A1CYP1A2
SCHEMBL31497107 0.74 HPRT1 (0.52) HPRT1PAX8CES1ALDH1A1CYP1A2
SCHEMBL3384889 0.73 HPRT1 (0.47) HPRT1PAX8CES1ALDH1A1CYP1A2
Charcoal, Activated SCHEMBL3299280 0.72 HPRT1 (0.50) HPRT1PAX8CES1ALDH1A1CYP1A2

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
CN-115023431-B Triterpene compounds, pharmaceutical compositions thereof and use thereof in the treatment of diseases mediated by member 1 of the nuclear receptor subfamily 4 藤济(厦门)生物医药科技有限公司 2024-02-02 CN disclosed
US-20150004252-A1 METHOD FOR PREDICTING THE CLINICAL RESPONSE TO CHEMOTHERAPY IN A SUBJECT WITH CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L (ES) 2015-01-01 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-20150004252-A1 METHOD FOR PREDICTING THE CLINICAL RESPONSE TO CHEMOTHERAPY IN A SUBJECT WITH CANCER CHKA, CHKB, DCK HPRT1 1053/4885PAX8 3859/4885CES1 150/4885

“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.