SCHEMBL16093823

SCHEMBL16093823

CCCn1c2ccc(C(C)=O)cc2c2c(OC)cccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ CNR2 P34972 4/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ PGR P06401 1/20 0.43
▸ RORA P35398 1/20 0.43
▸ RORC P51449 1/20 0.43
▸ RORB Q92753 1/20 0.43
▸ TSPO P30536 2/20 0.42
▸ NPSR1 Q6W5P4 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
SCHEMBL12608663 0.89 CNR2 (0.44) HPGDALDH1A1KDM4EHTTCNR2
SCHEMBL16099112 0.84 HPGD (0.55) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL16098858 0.84 HPGD (0.50) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL16104959 0.83 HPGD (0.54) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL16099272 0.82 HPGD (0.60) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL16093815 0.81 NPC1 (0.54) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL15848966 0.80 HPGD (0.67) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL16099645 0.80 HPGD (0.51) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL2774463 0.79 HPGD (0.79) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL16093794 0.79 CNR2 (0.48) HPGDALDH1A1LMNAMAPTCNR2

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 166/4885ALDH1A1 371/4885KDM4E 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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