SCHEMBL16101681

SCHEMBL16101681

CCCn1c2ccccc2c2c3c(ccc21)oc(=O)n3Cc1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 1/20 0.52
▸ TP53 P04637 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ POLB P06746 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CD74 P04233 1/20 0.41
▸ MIF P14174 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
SCHEMBL16101482 0.90 P2RX4 (0.50) P2RX4TP53HPGDALDH1A1POLB
SCHEMBL16131562 0.80 P2RX4 (0.52) P2RX4TP53HPGDTSHRALOX12
SCHEMBL16101686 0.76 MEN1 (0.54) P2RX4HPGDTSHRALOX12ALDH1A1
SCHEMBL18329012 0.76 P2RX4 (0.52) P2RX4TP53HPGDALDH1A1POLB
SCHEMBL2860677 0.74 P2RX4 (0.68) P2RX4TP53ALDH1A1POLBMEN1
SCHEMBL12963694 0.74 HDAC1 (0.67) P2RX4TP53ALDH1A1POLBMEN1
SCHEMBL16099188 0.73 KDM4E (0.50) P2RX4HPGDALDH1A1POLBMEN1
SCHEMBL16099478 0.70 POLB (0.51) P2RX4TP53HPGDALDH1A1POLB
SCHEMBL31667148 0.70 POLB (0.54) P2RX4TP53HPGDALDH1A1POLB
SCHEMBL14160793 0.70 P2RX4 (1.00) P2RX4ALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368872-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS PANACELA LABS, INC. 2016-12-22 — — US disclosed
US-20160368872-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS PANACELA LABS, INC. 2016-12-22 — — US disclosed
US-20160368872-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS PANACELA LABS, INC. 2016-12-22 — — US disclosed
WO-2014153055-A2 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 — — WO disclosed
WO-2014153055-A2 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 — — 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-20160368872-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS KLK3, AR, BRDT P2RX4 4435/4885TP53 13/4885HPGD 71/4885

“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.

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