SCHEMBL1687992

SCHEMBL1687992

CCCCOc1ccc(C2CCCCCc3ccccc3O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC8A1 P32418 4/20 0.43
KCNH2 Q12809 3/20 0.42
HRH3 Q9Y5N1 3/20 0.42
CRBN Q96SW2 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
LTA4H P09960 2/20 0.38

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
SCHEMBL10071651 0.99 SLC8A1 (0.43) SLC8A1KCNH2HRH3CRBNTAOK1
SCHEMBL10070887 0.84 SLC8A1 (0.41) SLC8A1KCNH2HRH3CRBNTP53
SCHEMBL1688052 0.82 KCNH2 (0.39) KCNH2HRH3CRBNTP53LMNA
SCHEMBL11045895 0.78 SLC8A1 (0.47) SLC8A1
SCHEMBL1688018 0.77 ESR2 (0.56) KMT2ALTA4H
SCHEMBL1687994 0.75 ESR2 (0.57) KMT2ALTA4H
SCHEMBL6565400 0.73 MAOB (0.49) SLC8A1TSHR
SCHEMBL29974186 0.72 MAOB (0.58) SLC8A1KMT2A
SCHEMBL11050225 0.72 MAOB (0.58) SLC8A1KMT2A
SCHEMBL28826979 0.70 HRH3 (0.65) KCNH2HRH3CRBN

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
US-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2012-04-12 US disclosed
US-8101651-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2012-01-24 US disclosed
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. 2009-05-21 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 (2 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-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA SLC8A1 1339/4885KCNH2 3697/4885HRH3 2395/4885
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA SLC8A1 1339/4885KCNH2 3697/4885HRH3 2395/4885

“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.