SCHEMBL16098858

SCHEMBL16098858

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ CNR2 P34972 6/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ RORC P51449 1/20 0.41
▸ SCARB1 Q8WTV0 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ NR1I2 O75469 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL16099272 0.87 HPGD (0.60) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL16093815 0.86 NPC1 (0.54) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL16093823 0.84 HPGD (0.52) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL16099112 0.82 HPGD (0.55) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL16104959 0.81 HPGD (0.54) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL15848966 0.78 HPGD (0.67) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL17461843 0.78 HPGD (0.57) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL16099645 0.78 HPGD (0.51) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL2774463 0.78 HPGD (0.79) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL17461821 0.77 NPC1 (0.52) HPGDALDH1A1KDM4EMAPTLMNA

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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