SCHEMBL408604

SCHEMBL408604

CC(O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.42
CYP1A2 P05177 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX5 P09917 1/20 0.32
PYCR1 P32322 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL31042359 1.00 APLNR (0.42) APLNRCYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL31073192 1.00 APLNR (0.42) APLNRCYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL7365019 0.82 APLNR (0.46) APLNRCYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL21556841 0.81 APLNR (0.31) APLNR
SCHEMBL26125642 0.81 NPC1 (0.33) APLNRALDH1A1HPGDHSD17B10KDM4E
SCHEMBL26125646 0.81 NPC1 (0.33) APLNRALDH1A1HPGDHSD17B10KDM4E
SCHEMBL3049989 0.81 APLNR (0.39) APLNRCYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL9185287 0.81 ADRA2B (0.38) ALDH1A1CYP2D6
SCHEMBL24010070 0.80 APLNR (0.41) APLNRALDH1A1
SCHEMBL6160560 0.80 APLNR (0.41) APLNRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111909083-B Inhibitors of histone demethylase 赛尔基因昆蒂赛尔研究公司 2023-08-15 CN disclosed
WO-2022257961-A1 BENZOHETEROCYCLIC COMPOUND FOR TREATING EP2 AND EP4 RECEPTOR-MEDIATED DISEASES 武汉人福创新药物研发中心有限公司 2022-12-15 WO disclosed
WO-2022257961-A1 BENZOHETEROCYCLIC COMPOUND FOR TREATING EP2 AND EP4 RECEPTOR-MEDIATED DISEASES 武汉人福创新药物研发中心有限公司 2022-12-15 WO disclosed
CN-115448882-A Benzoheterocyclic compounds useful for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed
US-11225601-B2 Photo-crosslinkable emissive molecular materials CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-01-18 US disclosed
EP-3160952-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-12-02 EP disclosed
EP-3741749-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-25 EP disclosed
EP-3738960-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-18 EP disclosed
CN-111909083-A Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2020-11-10 CN disclosed
CN-106660982-B Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2020-09-08 CN disclosed
WO-2011089416-A1 PYRAZINE DERIVATIVES ASTRAZENECA AB (SE) 2011-07-28 WO disclosed
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES PFIZER INC 2010-08-12 US disclosed
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES PFIZER INC 2010-08-12 US disclosed
WO-2010086820-A1 4-AMINO-5-OXO-7, 8-DIHYDROPYRIMIDO [5,4-F] [1,4] OXAZEPIN-6 (5H) -YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF PFIZER INC. (US) 2010-08-05 WO disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP disclosed
US-5624948-A TREATMENT OF BRONCHIAL ASTHMA KISSEI PHARMACEUTICAL CO., LTD. (JP) 1997-04-29 US disclosed
EP-0699668-A1 1-(2-BENZIMIDAZOLYL)-1,5-DIAZACYCLOOCTANE DERIVATIVE Kissei Pharmaceutical Co., Ltd. (JP) 1996-03-06 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 (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-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES DGAT1, DGAT2, MOGAT2 APLNR 1157/4885CYP1A2 917/4885ALDH1A1 158/4885
US-20020019531-A1 Indoles INMT, MUSK, MB APLNR 3292/4885CYP1A2 2772/4885ALDH1A1 3599/4885
US-11225601-B2 Photo-crosslinkable emissive molecular materials TYR, PNMT, INMT APLNR 2267/4885CYP1A2 1416/4885ALDH1A1 257/4885

“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.