SCHEMBL15920708

SCHEMBL15920708

CCOC(=O)c1ccc(OBOc2ccc(C(=O)OCC)c(F)c2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 2/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
PRKCZ Q05513 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.41
JMJD6 Q6NYC1 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL13366219 0.84 KDM4E (0.50) CA12CA1CA2CA7CA9
SCHEMBL12093644 0.84 KDM4E (0.56) CA12CA1CA2CA7CA9
SCHEMBL364906 0.83 CPS1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL28222767 0.82 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL8620759 0.82 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL5738305 0.80 HSD11B1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL4953797 0.79 MAOB (0.55) ALDH1A1HPGDMAOB
SCHEMBL7222675 0.79 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL367075 0.79 TSHR (0.57) CA12CA1CA2CA7CA9
SCHEMBL11695717 0.78 TSHR (0.52) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2943474-B1 BIARYL- OR HETEROCYCLIC BIARYL-SUBSTITUTED CYCLOHEXENE DERIVATIVE COMPOUNDS AS CETP INHIBITORS CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2017-07-05 EP disclosed
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
EP-2943474-A1 BIARYL- OR HETEROCYCLIC BIARYL-SUBSTITUTED CYCLOHEXENE DERIVATIVE COMPOUNDS AS CETP INHIBITORS Chong Kun Dang Pharmaceutical Corp. (KR) 2015-11-18 EP 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
WO-2014119947-A1 BIARYL- OR HETEROCYCLIC BIARYL-SUBSTITUTED CYCLOHEXENE DERIVATIVE COMPOUNDS AS CETP INHIBITORS CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-08-07 WO 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 CA12 4736/4885CA1 4872/4885CA2 3948/4885
US-20150322023-A1 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CETP, LIPC, PCSK9 CA12 4736/4885CA1 4872/4885CA2 3948/4885

“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.