SCHEMBL15831723

SCHEMBL15831723

CCOC(=O)C1CCC(C)(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
TLR4 O00206 1/20 0.40
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL29224598 0.82 CHRM2 (0.36) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL25248672 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL22092594 0.80 CYP1A2 (0.39) ALDH1A1KMT2AMAPTGAA
SCHEMBL11004912 0.80 CYP1A2 (0.39) ALDH1A1KMT2AMAPTGAA
SCHEMBL29329219 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL29328751 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL16925552 0.79 KMT2A (0.41) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL29328698 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL855129 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL15416050 0.77 TLR4 (0.45) ALDH1A1KDM4EMEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104591989-B The preparation method of 5 [(4 chlorphenyl) methyl] 2,2 cyclopentanone dimethyls 上海华谊(集团)公司 2017-08-29 CN claimed
CN-118027058-A 15-PGDH inhibitors 武汉人福创新药物研发中心有限公司 2024-05-14 CN disclosed
US-9499519-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-22 US disclosed
US-9499519-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-22 US disclosed
US-9422267-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-23 US disclosed
US-9422267-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-23 US disclosed
US-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-10 US disclosed
US-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-10 US disclosed
WO-2015028848-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS MULTI-KINASE INHIBITORS Piramal Enterprises Limited (IN) 2015-03-05 WO disclosed
WO-2014105958-A2 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-03 WO disclosed
US-20140179668-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-26 US disclosed
US-20140179668-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-26 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 (2 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-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF IGF1R, FGFR3, FGFR1 ALDH1A1 3567/4885KDM4E 3165/4885MEN1 2958/4885
US-20140179668-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF IGF1R, IPMK, IP6K2 ALDH1A1 3068/4885KDM4E 2755/4885MEN1 1982/4885

“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.