SCHEMBL5763789

SCHEMBL5763789

COc1cccc2c(CCCCBr)coc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR1A P08908 4/20 0.42
PSMB8 P28062 1/20 0.42
PSMB5 P28074 1/20 0.42
PTGIR P43119 7/20 0.41
TBXA2R P21731 4/20 0.41
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
MAOA P21397 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5761000 0.96 ALDH1A1 (0.48) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL5234354 0.90 ALDH1A1 (0.46) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL7959954 0.84 MEN1 (0.48) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL5235417 0.84 MEN1 (0.48) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL7962995 0.83 ALDH1A1 (0.49) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL4130976 0.81 PSMB8 (0.46) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL5504988 0.81 TAAR1 (0.53) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL4136821 0.81 MEN1 (0.46) ALDH1A1LMNAHPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL70924 0.79 TAAR1 (0.51) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL806348 0.79 ALDH1A1 (0.54) ALDH1A1LMNAHPGDMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651637-A1 3-AMINO CHROMAN AND 2-AMINO TETRALIN DERIVATIVES Wyeth (US) 2006-05-03 EP disclosed
US-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives WYETH (US) 2005-02-10 US disclosed
WO-2005012291-A1 3-AMINO CHOMAN AND 2-AMINO TETRALIN DERIVATIVES WYETH (US) 2005-02-10 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-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives TPH2, HTR2C, HTR7 ALDH1A1 3377/4885LMNA 2396/4885HPGD 3297/4885

“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.