SCHEMBL3813730

SCHEMBL3813730

COC(=O)C1CCC2CCCCC2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 1/20 0.36
CYP1A2 P05177 2/20 0.36
HIF1A Q16665 1/20 0.36
SLC6A3 Q01959 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 1/20 0.31
BRD4 O60885 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TEK Q02763 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL5896943 0.86 SLC6A2 (0.36) SLC6A2SLC6A4CYP1A2HIF1ASLC6A3
SCHEMBL5897600 0.85 SLC6A2 (0.38) SLC6A2SLC6A4CYP1A2HIF1ASLC6A3
SCHEMBL12333840 0.80
SCHEMBL1877028 0.80
SCHEMBL13882832 0.79 CYP1A2 (0.46) CYP1A2HIF1ASMN1; SMN2BRD4TP53
SCHEMBL5897643 0.78 SLC6A3 (0.35) SLC6A4CYP1A2HIF1ASLC6A3ALDH1A1
SCHEMBL3974812 0.75 CYP1A2 (0.43) CYP1A2HIF1ASMN1; SMN2BRD4ALDH1A1
SCHEMBL32681696 0.75 KDM4E (0.36) SLC6A2SLC6A4CYP1A2HIF1ASMN1; SMN2
SCHEMBL5346726 0.72 CYP1A2 (0.41) CYP1A2HIF1AKDM4EBRD4TP53
SCHEMBL3362070 0.71 CYP1A2 (0.38) SLC6A2SLC6A4CYP1A2HIF1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110177783-A Hormone receptor modulators for the treatment of metabolic conditions and disorders 阿德利克斯股份有限公司 2019-08-27 CN disclosed
US-8278311-B2 Substituted pyrimidine derivatives ABBOTT LABORATORIES (US) 2012-10-02 US disclosed
WO-2009134726-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-11-05 WO disclosed
US-20090270364-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-29 US disclosed
US-7038087-B2 Process for the production of optically active amino alcohols TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-05-02 US disclosed
US-20040063999-A1 Process for the production of optically active amino alcohols TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-04-01 US disclosed
EP-1398310-A1 Process for the production of optically active amino alcohols Takasago International Corporation (JP) 2004-03-17 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 (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-20090270364-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS SLC6A2 2699/4885SLC6A4 2239/4885CYP1A2 1101/4885
US-20040063999-A1 Process for the production of optically active amino alcohols ADH1C, ADH1A, ADH5 SLC6A2 1886/4885SLC6A4 627/4885CYP1A2 296/4885

“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.