SCHEMBL17461843

SCHEMBL17461843

C=C(C)c1ccc2c(c1)c1c(C(=O)O)cccc1n2CCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ KDM4E B2RXH2 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ CNR2 P34972 9/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RORC P51449 1/20 0.40
▸ CNR1 P21554 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ PSEN1 P49768 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 0.91 HPGD (0.60) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL17461821 0.90 NPC1 (0.52) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL16093815 0.80 NPC1 (0.54) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL17461837 0.79 HPGD (0.45) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL17461866 0.79 NPC1 (0.64) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL17461845 0.79 NPC1 (0.43) HPGDALDH1A1CNR2NPC1CNR1
SCHEMBL16098858 0.78 HPGD (0.50) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL17461830 0.77 CNR2 (0.41) HPGDALDH1A1CNR2NPC1RORC
SCHEMBL16099112 0.76 HPGD (0.55) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL17461833 0.75 NPC1 (0.59) 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 1 patent. 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

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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