SCHEMBL16098582

SCHEMBL16098582

CCCn1c2ccc(C#N)cc2c2cc(C(C)=O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ GFER P55789 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ CNR2 P34972 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RORC P51449 7/20 0.44

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
SCHEMBL16120102 0.94 HPGD (0.53) HPGDMAPTKDM4ELMNAHTT
SCHEMBL15848966 0.87 HPGD (0.67) HPGDMAPTKDM4ELMNAHTT
SCHEMBL17461839 0.87 HPGD (0.53) HPGDMAPTKDM4ELMNAHTT
SCHEMBL16099050 0.82 HPGD (0.76) HPGDMAPTKDM4ELMNAHTT
SCHEMBL17461828 0.81 HPGD (0.50) HPGDMAPTKDM4ELMNAHTT
SCHEMBL2774463 0.81 HPGD (0.79) HPGDMAPTKDM4ELMNAHTT
SCHEMBL16098831 0.81 NPC1 (0.67) HPGDMAPTKDM4ELMNAHTT
SCHEMBL16093751 0.81 HPGD (0.58) HPGDMAPTKDM4ELMNAHTT
SCHEMBL16120103 0.80 HPGD (0.57) HPGDMAPTKDM4ELMNAHTT
SCHEMBL16120094 0.80 HPGD (0.57) HPGDMAPTKDM4ELMNAHTT

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 HPGD 166/4885MAPT 3324/4885KDM4E 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.

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