SCHEMBL17254341

SCHEMBL17254341

COc1ccc(Cl)cc1C1=C(C=O)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.48
ALDH1A1 P00352 9/20 0.44
HPGD P15428 6/20 0.44
AGPAT2 O15120 1/20 0.40
SLC9A1 P19634 1/20 0.39
KDM4E B2RXH2 4/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
PRNP P04156 1/20 0.37
PPARG P37231 1/20 0.37
MAPK10 P53779 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL15921407 0.80 ERN1 (0.43) ERN1ALDH1A1HPGDAGPAT2SLC9A1
SCHEMBL4158464 0.75 SMN1; SMN2 (0.43) ERN1ALDH1A1HPGDAGPAT2KDM4E
SCHEMBL4924977 0.74 ALDH1A1 (0.44) ERN1ALDH1A1HPGDSLC9A1KDM4E
SCHEMBL29320708 0.74 KMT2A (0.36) ERN1ALDH1A1KMT2ATDP1MAPT
SCHEMBL7699644 0.72 ALDH1A1 (0.56) ERN1ALDH1A1HPGDAGPAT2KDM4E
SCHEMBL4151708 0.71 ERN1 (0.42) ERN1ALDH1A1HPGDSLC9A1KDM4E
SCHEMBL4924013 0.70 ALDH1A1 (0.41) ERN1ALDH1A1HPGDSLC9A1KDM4E
SCHEMBL24438161 0.70 AGPAT2 (0.60) ERN1ALDH1A1HPGDAGPAT2TSHR
SCHEMBL1700335 0.70 SLC6A3 (0.46) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL4914496 0.69 ALDH1A1 (0.40) ERN1ALDH1A1HPGDSLC9A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493430-B2 Biaryl- or heterocyclic biaryl-substituted cyclohexene derivative compounds as CETP inhibitors CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-11-15 US disclosed
US-20160237046-A9 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-08-18 US disclosed
US-20150322023-A1 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CHONG KUN DANG PHARM CORP (KR) 2015-11-12 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-20160237046-A9 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CETP, LIPC, PCSK9 ERN1 1925/4885ALDH1A1 3741/4885HPGD 1646/4885
US-20150322023-A1 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CETP, LIPC, PCSK9 ERN1 1925/4885ALDH1A1 3741/4885HPGD 1646/4885

“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.