SCHEMBL3385591

SCHEMBL3385591

CC(C)(Cc1ccccc1)OC(C)(C)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
CYP2D6 P10635 2/20 0.52
LMNA P02545 1/20 0.52
TRPA1 O75762 1/20 0.45
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 2/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
TSHR P16473 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MMP8 P22894 1/20 0.40
CALM1 P0DP23 1/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 1/20 0.39
FDPS P14324 1/20 0.39
CTSK P43235 1/20 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
SCHEMBL31166039 0.87 SLC6A2 (0.48) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL1157985 0.85 SLC6A2 (0.56) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL872871 0.83 SLC6A2 (0.54) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL7492795 0.81 SLC6A2 (0.52) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL8025855 0.81 LMNA (0.54) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL7929657 0.81 SLC6A2 (0.52) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL313697 0.81 SLC6A2 (0.52) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL14461582 0.79 SLC6A2 (0.56) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL22029800 0.79 SLC6A2 (0.50) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL28653302 0.79 TAAR1 (0.50) SLC6A2TAAR1CYP2D6LMNATRPA1

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
CN-114436781-B Preparation method of substituted phenol compound 安徽觅拓材料科技有限公司 2023-03-24 CN claimed
CN-114436781-A Preparation method of substituted phenol compound 安徽觅拓材料科技有限公司 2022-05-06 CN claimed
EP-1979362-B1 NOVEL SILANE COMPOUNDS AND USE THEREOF IN ORDER TO FUNCTIONALISE SOLID MEDIA AND IMMOBILISE BIOLOGICAL MOLECULES ON SAID MEDIA COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-12-15 EP claimed
CN-114436781-B Preparation method of substituted phenol compound 安徽觅拓材料科技有限公司 2023-03-24 CN disclosed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
CN-114436781-A Preparation method of substituted phenol compound 安徽觅拓材料科技有限公司 2022-05-06 CN disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
US-20120309922-A1 HYDROXY-TERMINATED SILOXANE, POLYSILOXANE-POLYCARBONATE COPOLYMER, AND PREPARATION METHOD THEREOF SAMYANG CORPORATION (KR) 2012-12-06 US disclosed
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 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 (3 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-20120309922-A1 HYDROXY-TERMINATED SILOXANE, POLYSILOXANE-POLYCARBONATE COPOLYMER, AND PREPARATION METHOD THEREOF SEM1, P4HA1, SULT1A1 SLC6A2 4720/4885TAAR1 2600/4885CYP2D6 2060/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 SLC6A2 4635/4885TAAR1 3874/4885CYP2D6 3820/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 SLC6A2 4635/4885TAAR1 3874/4885CYP2D6 3820/4885

“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.