SCHEMBL16099544

SCHEMBL16099544

CC(=O)c1ccc2c(c1)c1ccccc1n2CCC(Cl)Cl

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
HPGD P15428 2/20 0.66
KDM4E B2RXH2 3/20 0.52
CNR2 P34972 10/20 0.51
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.47
CNR1 P21554 1/20 0.46
NPC1 O15118 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SCARB1 Q8WTV0 1/20 0.45

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
SCHEMBL4692026 0.88 ALDH1A1 (0.76) ALDH1A1HPGDKDM4ECNR2MAPT
SCHEMBL16099245 0.87 ALDH1A1 (0.66) ALDH1A1HPGDKDM4ECNR2MAPT
SCHEMBL27900931 0.83 ALDH1A1 (0.68) ALDH1A1HPGDKDM4ECNR2MAPT
SCHEMBL2774463 0.83 HPGD (0.79) ALDH1A1HPGDKDM4ECNR2MAPT
SCHEMBL8175739 0.83 CNR2 (0.67) ALDH1A1HPGDCNR2CNR1NPC1
SCHEMBL16120022 0.81 ALDH1A1 (0.65) ALDH1A1HPGDKDM4ECNR2CNR1
SCHEMBL27918668 0.81 CNR2 (0.70) ALDH1A1HPGDCNR2CNR1NPC1
SCHEMBL5662028 0.80 HPGD (0.72) ALDH1A1HPGDKDM4EMAPTPOLB
SCHEMBL28050802 0.80 CNR2 (0.77) ALDH1A1HPGDCNR2CNR1NPC1
SCHEMBL28389333 0.80 ALDH1A1 (0.67) ALDH1A1HPGDKDM4ECNR2NPSR1

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-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 US disclosed
US-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 US disclosed
US-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 US disclosed
WO-2014153043-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 WO disclosed
WO-2014153043-A1 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-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS AR, KLK3, BRDT ALDH1A1 371/4885HPGD 166/4885KDM4E 1549/4885

“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.