SCHEMBL13399698

SCHEMBL13399698

COc1ccc2[nH]c(-c3ccc(C)cc3)c(C)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.68
ALDH1A1 P00352 7/20 0.59
KDM4E B2RXH2 7/20 0.59
HPGD P15428 6/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 1/20 0.59
MEN1 O00255 3/20 0.56
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
HSD17B10 Q99714 2/20 0.56
TSHR P16473 1/20 0.56
GFER P55789 1/20 0.56
TLR9 Q9NR96 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
NR1I2 O75469 1/20 0.48
HTR7 P34969 2/20 0.48
HTR6 P50406 2/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL3356338 0.94 ALOX5 (0.71) ALOX5ALDH1A1KDM4EHPGDNPC1
SCHEMBL27255881 0.91 KDM4E (0.59) ALOX5ALDH1A1KDM4EHPGDNPC1
SCHEMBL8856056 0.88 ALOX5 (0.68) ALOX5ALDH1A1KDM4EHPGDMEN1
SCHEMBL4565516 0.85 ALOX5 (0.61) ALOX5ALDH1A1KDM4EHPGDNPC1
SCHEMBL29839927 0.84 ALOX5 (0.63) ALOX5ALDH1A1KDM4EHPGDMEN1
SCHEMBL12960219 0.83 ALDH1A1 (0.53) ALOX5ALDH1A1KDM4EHPGDNPC1
SCHEMBL8995241 0.82 ALOX5 (0.57) ALOX5ALDH1A1KDM4EHPGDMEN1
SCHEMBL15073403 0.81 PTGS2 (0.58) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL15331284 0.81 ALDH1A1 (0.56) ALOX5ALDH1A1KDM4EHPGDNPC1
SCHEMBL10459430 0.81 ALOX5 (1.00) ALOX5ALDH1A1KDM4EHPGDNPC1

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-20100087661-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA K.S. (CZ) 2010-04-08 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-20100087661-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE CYP19A1, CYP17A1, SHBG ALOX5 897/4885ALDH1A1 1129/4885KDM4E 99/4885

“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.