SCHEMBL12893202

SCHEMBL12893202

COc1ccc(C2(c3ccc(C)cc3)CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
BACE1 P56817 2/20 0.51
ESR1 P03372 3/20 0.47
ESR2 Q92731 3/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
RELA Q04206 1/20 0.46
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
KCNA5 P22460 1/20 0.42
HSD11B1 P28845 2/20 0.42

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
SCHEMBL16709344 0.93 ACHE (0.52) ACHESLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL19268518 0.92 SLC6A4 (0.58) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL25986515 0.92 SLC6A4 (0.58) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL10112726 0.92 SLC6A4 (0.58) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL10086337 0.92 SLC6A4 (0.58) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL10112733 0.92 SLC6A4 (0.58) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL10112736 0.92 SLC6A4 (0.58) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL12770840 0.91 BACE1 (0.47) ACHESLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL13648257 0.91 BACE1 (0.47) ACHESLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL12808406 0.90 BACE1 (0.57) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11693329-B2 Fluorine-containing resin particle, composition, layer-shaped article, electrophotographic photoreceptor, process cartridge, and image forming apparatus FUJIFILM BUSINESS INNOVATION CORP. (JP) 2023-07-04 US disclosed
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
US-7354679-B2 Ion conductive random copolymers POLYFUEL, INC. (US) 2008-04-08 US disclosed
WO-2008033894-A2 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-03-20 WO 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 ACHE 1943/4885SLC6A4 2601/4885SLC6A3 1763/4885

“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.