SCHEMBL5619084

SCHEMBL5619084

O=C(C=Cc1ccccc1)c1cccc(OC2CCCCO2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.56
MAPT P10636 8/20 0.50
LMNA P02545 6/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
BCHE P06276 2/20 0.47
CYP1B1 Q16678 3/20 0.46
PLIN1 O60240 1/20 0.46
TNFRSF1A P19438 1/20 0.46
ACHE P22303 1/20 0.46
RECQL P46063 1/20 0.46
PLIN5 Q00G26 1/20 0.46
ABHD5 Q8WTS1 1/20 0.46
HTT P42858 1/20 0.44

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
SCHEMBL5619081 1.00 MAOB (0.56) MAOBMAPTLMNANPC1RAB9A
SCHEMBL5619511 0.94 BCHE (0.48) MAOBMAPTLMNANPC1RAB9A
SCHEMBL5619504 0.94 BCHE (0.48) MAOBMAPTLMNANPC1RAB9A
SCHEMBL5620399 0.87 CYP1B1 (0.53) MAOBMAPTLMNANPC1RAB9A
SCHEMBL25210277 0.87 MAPT (0.58) MAOBMAPTLMNANPC1RAB9A
SCHEMBL25210278 0.87 MAPT (0.58) MAOBMAPTLMNANPC1RAB9A
SCHEMBL25219890 0.87 MAPT (0.58) MAOBMAPTLMNANPC1RAB9A
SCHEMBL5620395 0.87 CYP1B1 (0.53) MAOBMAPTLMNANPC1RAB9A
SCHEMBL9177615 0.87 PDE4B (0.46) MAOBMAPTLMNANPC1RAB9A
SCHEMBL31233307 0.87 MAOB (0.53) MAOBMAPTLMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276523-B2 Aminopyridine derivatives as estrogen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-10-02 US disclosed
US-20040152688-A1 Aminopyridine derivatives as estrogen receptor modulators SMITHKLINE BEECHAM CORPORATION 2004-08-05 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-20040152688-A1 Aminopyridine derivatives as estrogen receptor modulators ESR2, GPER1, ESR1 MAOB 1367/4885MAPT 2628/4885LMNA 3601/4885

“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.