Sugi Predict

Sugi Predict / Compounds / SCHEMBL12893259

SCHEMBL12893259

SCHEMBL12893259

Oc1ccc(C2(c3ccccc3F)CCCCCO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 5/20 0.40
▸ ESR1 P03372 4/20 0.40
▸ HDAC4 P56524 2/20 0.38
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TYMS P04818 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3727275 0.99 HDAC4 (0.39) ESR2ESR1HDAC4PSEN1PSEN2
SCHEMBL12893261 0.82 ESR2 (0.47) ESR2ESR1HDAC4SMN1; SMN2
SCHEMBL1256629 0.81 ESR2 (0.46) ESR2ESR1HDAC4SMN1; SMN2TDP1
SCHEMBL12893256 0.77 ALDH1A1 (0.41) ESR2ESR1HDAC4MEN1LMNA
SCHEMBL1257322 0.76 ESR1 (0.61) ESR2ESR1HDAC4PSEN1PSEN2
SCHEMBL1255414 0.76 ESR1 (0.61) ESR2ESR1HDAC4PSEN1PSEN2
SCHEMBL7003423 0.71 SLC6A2 (0.41) SMN1; SMN2
SCHEMBL22348784 0.71 HDAC6 (0.42) HSD11B1HDAC6
SCHEMBL8666950 0.69 DPP4 (0.41) HDAC4SMN1; SMN2
SCHEMBL440243 0.69 ESR1 (0.39) ESR2ESR1HDAC4PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822548-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2014-09-02 — — US disclosed
US-8822548-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2014-09-02 — — US disclosed
US-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2011-02-24 — — US disclosed
US-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2011-02-24 — — US disclosed
US-7825265-B2 di-aromatic compounds for treatment and prevention of diseases and disorders related to estrogen receptors; 2-fluoro-1-methoxy-4-(1-phenyl-cyclohexyl)-benzene ACADIA PHARMACEUTICALS INC. (US) 2010-11-02 — — US disclosed
US-7825265-B2 di-aromatic compounds for treatment and prevention of diseases and disorders related to estrogen receptors; 2-fluoro-1-methoxy-4-(1-phenyl-cyclohexyl)-benzene ACADIA PHARMACEUTICALS INC. (US) 2010-11-02 — — US disclosed
WO-2007056500-A2 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2007-05-18 — — 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-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESR2, ESR1, GPER1 ESR2 1/4885ESR1 2/4885HDAC4 1082/4885

“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.