SCHEMBL440243

SCHEMBL440243

Oc1ccc(C2(c3ccccc3F)CCCCCC2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.39
ESR2 Q92731 2/20 0.39
HDAC4 P56524 1/20 0.38
SLC6A3 Q01959 9/20 0.35
SLC6A4 P31645 8/20 0.35
ALOX5AP P20292 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
PDK2 Q15119 1/20 0.32

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
SCHEMBL15436406 0.99 HDAC4 (0.38) ESR1ESR2HDAC4SLC6A3SLC6A4
SCHEMBL401435 0.99 HDAC4 (0.38) ESR1ESR2HDAC4SLC6A3SLC6A4
SCHEMBL1630796 0.88 SLC6A3 (0.37) HDAC4SLC6A3SLC6A4
SCHEMBL1630211 0.86 SLC6A3 (0.38) HDAC4SLC6A3SLC6A4
SCHEMBL398965 0.86 ESR2 (0.41) ESR1ESR2SLC6A3SLC6A4
SCHEMBL399985 0.85 ESR2 (0.40) ESR1ESR2SLC6A3SLC6A4
SCHEMBL398866 0.82 RORC (0.44) SLC6A3PDK2
SCHEMBL10042119 0.82 HDAC4 (0.35) HDAC4SLC6A3SLC6A4
SCHEMBL399556 0.81 RORC (0.45) SLC6A3PDK2
SCHEMBL1688040 0.80 MEN1 (0.46) SLC6A3SLC6A4PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200994-B1 CONDENSED COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARM INC (US) 2014-01-22 EP disclosed
US-8470872-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2013-06-25 US disclosed
US-8470872-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2013-06-25 US disclosed
US-8470872-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2013-06-25 US disclosed
US-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2012-04-12 US disclosed
US-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2012-04-12 US disclosed
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-8101651-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2012-01-24 US disclosed
US-8101651-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2012-01-24 US disclosed
EP-2200994-A1 CONDENSED COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS Acadia Pharmaceuticals Inc. (US) 2010-06-30 EP disclosed
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. 2009-05-21 US disclosed
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. 2009-05-21 US disclosed
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. 2009-05-21 US disclosed
WO-2009055734-A1 CONDENSED COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2009-04-30 WO disclosed
WO-2009055734-A1 CONDENSED COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2009-04-30 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 (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 ESR1 6/4885ESR2 2/4885HDAC4 1962/4885
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA ESR1 6/4885ESR2 2/4885HDAC4 1962/4885

“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.