SCHEMBL1459660

SCHEMBL1459660

O=CCc1c(F)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 2/20 0.35
BACE1 P56817 1/20 0.35
DAO P14920 1/20 0.35
MEN1 O00255 1/20 0.34
NFE2L2 Q16236 1/20 0.33
AR P10275 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BCHE P06276 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
SCHEMBL1460113 0.85 TAAR1 (0.55) TAAR1GAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL30681485 0.85 EED (0.37) ERN1TAAR1CES2CES1GAA
SCHEMBL29569478 0.85 TAAR1 (0.55) TAAR1GAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5078599 0.85 EED (0.37) ERN1TAAR1CES2CES1GAA
SCHEMBL2470829 0.85 ERN1 (0.42) ERN1CES2CES1GAAKDM4E
SCHEMBL22602815 0.82 BACE1 (0.33) ERN1TAAR1GAAKDM4EBACE1
SCHEMBL31709207 0.82 LMNA (0.39) KDM4ESMN1; SMN2ALDH1A1KMT2AHTT
SCHEMBL1957643 0.80 NFE2L2 (0.43) ERN1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL16147716 0.79 MAPT (0.43) ERN1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL29401517 0.79 MAPT (0.43) ERN1SMN1; SMN2ALDH1A1KMT2AMEN1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304617-A Synthesis method of oxaspiro diphenol with large steric hindrance and diphosphine ligand thereof 惠州凯特立斯科技有限公司 2022-11-08 CN claimed
CN-111971282-B Pyrazolotetrahydroisoquinoline derivatives as dopamine D1 receptor positive modulators 伊莱利利公司 2024-03-19 CN disclosed
CN-115304617-A Synthesis method of oxaspiro diphenol with large steric hindrance and diphosphine ligand thereof 惠州凯特立斯科技有限公司 2022-11-08 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
EP-3292117-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS H. Hoffnabb-La Roche Ag (CH) 2018-03-14 EP disclosed
EP-3292108-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS H. Hoffnabb-La Roche Ag (CH) 2018-03-14 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
WO-2011044181-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 WO disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 US disclosed
CN-101389630-A Protein kinase inhibitors ABBOTT LAB (US) 2009-03-18 CN disclosed
EP-1973917-A2 PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2008-10-01 EP disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 US disclosed
WO-2007079164-A2 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2007-07-12 WO disclosed
US-6797842-B2 BY ASYMMETRICALLY REDUCING AN OPTICALLY ACTIVE IMINE, USING A HYDRIDE REDUCING AGENT TO CONVERT TO AN OPTICALLY ACTIVE SECONDARY AMINE, WHICH THEN UNDERGOES HYDROGENOLYSIS; HIGH OPTICAL PURITY, SIMPLE, EFFICIENT CENTRAL GLASS COMPANY, LIMITED (JP) 2004-09-28 US disclosed
US-20020103400-A1 Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same CENTRAL GLASS COMPANY, LIMITED (JP) 2002-08-01 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 (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-10035790-B2 RORγ modulators RORB, RORA, RORC ERN1 2820/4885TAAR1 1070/4885CES2 4735/4885
US-20020103400-A1 Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same MAP2K5, MAP2K4, MAP2K1 ERN1 7/4885TAAR1 2742/4885CES2 2291/4885
US-20070203143-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 ERN1 417/4885TAAR1 4583/4885CES2 2317/4885

“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.