SCHEMBL15920786

SCHEMBL15920786

COC(=O)c1ccc(-c2cc(F)cc(Cl)c2)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.49
▸ AKR1B10 O60218 1/20 0.46
▸ AKR1C4 P17516 1/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ PDK2 Q15119 5/20 0.41
▸ P4HB P07237 1/20 0.40
▸ PDK1 Q15118 2/20 0.39
▸ PDK3 Q15120 2/20 0.39
▸ PDK4 Q16654 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ EPAS1 Q99814 1/20 0.39
▸ ACLY P53396 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38

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
SCHEMBL15920879 0.84 APP (0.46) AKR1C3AKR1C2AKR1C1MEN1MAPT
SCHEMBL15920811 0.82 SLC1A3 (0.51) NOTUMAKR1B10AKR1C4AKR1C3AKR1C2
SCHEMBL10907300 0.81 NOTUM (0.66) NOTUMMRGPRX4PDK2P4HBPDK1
SCHEMBL3903631 0.79 EGFR (0.57) NOTUMAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL15920863 0.78 ERN1 (0.55) MEN1MAPTCASP3KMT2ASENP7
SCHEMBL15920972 0.76 KDM4E (0.55) NOTUMAKR1B10AKR1C4AKR1C3AKR1C2
SCHEMBL752590 0.76 NOTUM (0.64) NOTUMMRGPRX4PDK2P4HBMEN1
SCHEMBL14012580 0.76 NOTUM (0.64) NOTUMMRGPRX4PDK2P4HBMEN1
SCHEMBL197395 0.75 NOTUM (0.62) NOTUMMRGPRX4PDK2P4HBPDK1
SCHEMBL28669018 0.75 SRD5A2 (0.57) NOTUMAKR1C3AKR1C2PDK2KDM4E

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 NOTUM 45/4885AKR1B10 337/4885AKR1C4 344/4885
US-20150322023-A1 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CETP, LIPC, PCSK9 NOTUM 45/4885AKR1B10 337/4885AKR1C4 344/4885

“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.

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