SCHEMBL5536844

SCHEMBL5536844

OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCCN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.58
CYP2D6 P10635 3/20 0.58
CYP2C19 P33261 2/20 0.58
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
RAB9A P51151 1/20 0.58
TACR1 P25103 4/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
THPO P40225 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GMNN O75496 1/20 0.42
LMNA P02545 1/20 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
SCHEMBL3008035 1.00 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL3008034 1.00 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL20128490 0.92 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL15281063 0.92 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL15281197 0.92 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL10326924 0.91 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL10326851 0.91 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL10327087 0.91 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL20944816 0.89 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL15517626 0.89 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348524-A1 TECHNOLOGIES FOR OLIGONUCLEOTIDE PREPARATION WAVE LIFE SCIENCES LTD. (SG) 2023-11-02 US disclosed
US-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 US disclosed
CN-116535365-A Macrocyclic diamine derivatives and their combination with adenosine receptor antagonists as ENT inhibitors for the treatment of cancer ITEOS比利时公司 2023-08-04 CN disclosed
WO-2020191252-A1 TECHNOLOGIES USEFUL FOR OLIGONUCLEOTIDE PREPARATION WAVE LIFE SCIENCES LTD. (SG) 2020-09-24 WO disclosed
US-20200231620-A1 TECHNOLOGIES FOR OLIGONUCLEOTIDE PREPARATION WAVE LIFE SCIENCES LTD. (SG) 2020-07-23 US disclosed
WO-2019055951-A1 TECHNOLOGIES FOR OLIGONUCLEOTIDE PREPARATION WAVE LIFE SCIENCES LTD. (SG) 2019-03-21 WO disclosed
US-10040760-B2 Pyrrolidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-08-07 US disclosed
US-20180127364-A1 PYRROLIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-10 US disclosed
EP-2631227-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 4-CHLORO-3-HYDROXYBUTANAL COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-03-25 EP disclosed
US-8742176-B2 Process for producing optically active 4-chloro-3-hydroxybutanal compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-06-03 US disclosed
US-8729294-B2 Process for producing optically active 3-substituted-3-formyl-2-hydroxypropanoic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-05-20 US disclosed
EP-2631227-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 4-CHLORO-3-HYDROXYBUTANAL COMPOUND Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2013-08-28 EP disclosed
US-20130217901-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 4-CHLORO-3-HYDROXYBUTANAL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-22 US disclosed
US-20130137880-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-SUBSTITUTED-3-FORMYL-2-HYDROXYPROPANOIC ACID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-30 US disclosed
EP-2578566-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-SUBSTITUTED-3-FORMYL-2-HYDROXYPROPANOIC ACID COMPOUND Sumitomo Chemical Company Limited (JP) 2013-04-10 EP disclosed
US-20070276142-A1 Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds CHEMINOVA A/S (DK) 2007-11-29 US disclosed
US-20070276142-A1 Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds CHEMINOVA A/S (DK) 2007-11-29 US disclosed
US-20070276142-A1 Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds CHEMINOVA A/S (DK) 2007-11-29 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 (8 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-11718638-B2 Compounds, compositions and methods for synthesis ALKBH1, DUT, RNGTT CYP1A2 4059/4885CYP2D6 888/4885CYP2C19 3230/4885
US-20070276142-A1 Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds CBR1, CBR3, HAO1 CYP1A2 55/4885CYP2D6 534/4885CYP2C19 565/4885
US-20180127364-A1 PYRROLIDINE COMPOUND CAT, POLI, PPOX CYP1A2 1239/4885CYP2D6 2099/4885CYP2C19 498/4885
US-20200231620-A1 TECHNOLOGIES FOR OLIGONUCLEOTIDE PREPARATION POLRMT, DCLRE1B, RNGTT CYP1A2 4658/4885CYP2D6 3929/4885CYP2C19 4618/4885
US-20130217901-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 4-CHLORO-3-HYDROXYBUTANAL COMPOUND ALDH1A2, HPD, ALDH18A1 CYP1A2 151/4885CYP2D6 115/4885CYP2C19 455/4885
US-20230348524-A1 TECHNOLOGIES FOR OLIGONUCLEOTIDE PREPARATION POLRMT, DCLRE1B, RNGTT CYP1A2 4658/4885CYP2D6 3929/4885CYP2C19 4618/4885
US-10040760-B2 Pyrrolidine compound CAT, POLI, PPOX CYP1A2 1239/4885CYP2D6 2099/4885CYP2C19 498/4885
US-20130137880-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-SUBSTITUTED-3-FORMYL-2-HYDROXYPROPANOIC ACID COMPOUND HPD, GRHPR, HAAO CYP1A2 225/4885CYP2D6 229/4885CYP2C19 706/4885

“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.