SCHEMBL8628650

SCHEMBL8628650

CCOCCCCCCBr

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CES2 O00748 2/20 0.33
TSHR P16473 1/20 0.32
EPHX2 P34913 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
CES1 P23141 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3923327 1.00 ALDH1A1 (0.39) ALDH1A1HTTMEN1THRBKMT2A
SCHEMBL8167936 1.00
SCHEMBL9444828 1.00 ALDH1A1 (0.39) ALDH1A1HTTMEN1THRBKMT2A
SCHEMBL3923662 1.00 ALDH1A1 (0.39) ALDH1A1HTTMEN1THRBKMT2A
SCHEMBL3332189 0.97
SCHEMBL9579658 0.95 THRB (0.43) ALDH1A1HTTMEN1THRBKMT2A
SCHEMBL15922787 0.95 MEN1 (0.38) ALDH1A1HTTMEN1THRBKMT2A
SCHEMBL6151432 0.95 THRB (0.43) ALDH1A1HTTMEN1THRBKMT2A
SCHEMBL31151133 0.92 THRB (0.39) ALDH1A1HTTMEN1THRBKMT2A
SCHEMBL1074128 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
US-11124617-B2 Materials coated with calixarenes UNIVERSITE LIBRE DE BRUXELLES (ULB) (BE) 2021-09-21 US disclosed
EP-2836539-B1 MATERIALS COATED WITH CALIXARENES UNIV LIBRE DE BRUXELLES ULB (BE) 2019-09-18 EP disclosed
US-20190233358-A1 MATERIALS COATED WITH CALIXARENES UNIVERSITE LIBRE DE BRUXELLES (ULB) (BE) 2019-08-01 US disclosed
US-10329232-B2 Materials coated with calixarenes UNIVERSITE LIBRE DE BRUXELLES (ULB) (BE) 2019-06-25 US disclosed
CN-108793174-A A kind of meso-porous titanium dioxide silica fibre and preparation method thereof 江南大学 2018-11-13 CN disclosed
CN-104487496-A Materials coated with calixarenes UNIV LIBRE DE BRUXELLES ULB 2015-04-01 CN disclosed
US-20150064455-A1 MATERIALS COATED WITH CALIXARENES UNIVERSITÉ PARIS CITÉ (FR) 2015-03-05 US disclosed
EP-2836539-A1 MATERIALS COATED WITH CALIXARENES Université Libre de Bruxelles (ULB) (BE) 2015-02-18 EP disclosed
WO-2013152967-A1 MATERIALS COATED WITH CALIXARENES UNIVERSITE LIBRE DE BRUXELLES (ULB) (BE) 2013-10-17 WO disclosed
EP-0666847-B1 TRYPTAMINE ANALOGS WITH 5-HT1D SELECTIVITY ALLELIX BIOPHARMA (CA) 1998-06-17 EP disclosed
US-5496957-A 5-HYDOXYTRYPTAMINE VIRGINIA COMMONWEALTH UNIVERSITY (US) 1996-03-05 US disclosed
EP-0504812-B1 Aromatic compounds, their production processes and their compositions for the control of insect pests SUMITOMO CHEMICAL CO (JP) 1995-09-06 EP disclosed
EP-0666847-A1 TRYPTAMINE ANALOGS WITH 5-HT1D SELECTIVITY Allelix Biopharmaceuticals Inc. (CA) 1995-08-16 EP disclosed
WO-1995006638-A1 TRYPTAMINE ANALOGS WITH 5-HT1D SELECTIVITY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1995-03-09 WO disclosed
US-5302619-A Aromatic compounds, their production processes and their compositions for the control of insect pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-04-12 US disclosed
US-5262441-A APPLYING INSECTICIDE TO INSECT OR LOCUS WHERE INSECT PROPAGATES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1993-11-16 US disclosed
US-5223232-A Solvent extraction of solutions from irradiated nuclear fuel reprocessing plants COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1993-06-29 US disclosed
EP-0504812-A2 Aromatic compounds, their production processes and their compositions for the control of insect pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-09-23 EP 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 (4 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-11124617-B2 Materials coated with calixarenes CALD1, CALU, CALR ALDH1A1 1356/4885HTT 4103/4885MEN1 4566/4885
US-10329232-B2 Materials coated with calixarenes CALU, CALD1, CALR ALDH1A1 1645/4885HTT 4476/4885MEN1 4791/4885
US-20150064455-A1 MATERIALS COATED WITH CALIXARENES CALD1, CALU, CALR ALDH1A1 1356/4885HTT 4103/4885MEN1 4566/4885
US-20190233358-A1 MATERIALS COATED WITH CALIXARENES CALD1, CALU, CALR ALDH1A1 1356/4885HTT 4103/4885MEN1 4566/4885

“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.