SCHEMBL16099188

SCHEMBL16099188

CCCn1c2ccccc2c2c3ncn(Cc4ccc(OC)cc4)c(=O)c3ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.50
▸ P2RX4 Q99571 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MMP13 P45452 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ BLM P54132 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CHRM1 P11229 1/20 0.41
▸ GRM2 Q14416 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
SCHEMBL16131524 0.90 KDM4E (0.51) KDM4EP2RX4ALDH1A1POLBRXFP1
SCHEMBL16098110 0.90 KDM4E (0.50) KDM4EP2RX4ALDH1A1POLBMMP13
SCHEMBL16098301 0.77 POLB (0.57) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL30835647 0.74 KDM4E (0.51) KDM4EPOLBMEN1KMT2AMMP13
SCHEMBL32691295 0.73 MMP13 (0.52) KDM4EPOLBMEN1KMT2AMMP13
SCHEMBL16101681 0.73 P2RX4 (0.52) P2RX4ALDH1A1POLBRXFP1MEN1
SCHEMBL12963694 0.73 HDAC1 (0.67) P2RX4ALDH1A1POLBRXFP1MEN1
SCHEMBL16131456 0.72 KDM4E (0.42) KDM4EP2RX4ALDH1A1RXFP1MMP13
SCHEMBL9197327 0.71 ADORA3 (0.53) KDM4EALDH1A1POLBRXFP1SMN1; SMN2
SCHEMBL16101958 0.70 KDM4E (0.40) KDM4EP2RX4ALDH1A1RXFP1MMP13

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 KDM4E 971/4885P2RX4 4435/4885ALDH1A1 145/4885

“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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