SCHEMBL1630834

SCHEMBL1630834

Cc1ccc(C2(c3cc(F)ccc3F)CCCCCC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
HDAC4 P56524 3/20 0.38
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 5/20 0.35
SLC6A9 P48067 2/20 0.34
KDM1A O60341 1/20 0.33
SLC6A2 P23975 2/20 0.32
THRB P10828 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
SCHEMBL1629725 0.84 HDAC4 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1631912 0.83 HDAC4 (0.41) HDAC4SLC6A4
SCHEMBL1630842 0.80 HDAC4 (0.43) HDAC4SLC6A4
SCHEMBL10042118 0.79 AKR1B1 (0.38) HDAC4SLC6A4
SCHEMBL400339 0.78 RORC (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL401285 0.71 HDAC4 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1629501 0.71 SLC6A3 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL401446 0.69 HDAC4 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13676616 0.68 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13853045 0.68 OPRM1 (0.41)

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-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

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-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA PSEN1 1104/4885PSEN2 770/4885APH1B 2220/4885

“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.