SCHEMBL15521815

SCHEMBL15521815

COc1cc(Cl)cc(OBOc2cc(Cl)cc(OC)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP1A1 P04798 6/20 0.39
▸ CYP1B1 Q16678 6/20 0.39
▸ AHR P35869 2/20 0.38
▸ CYP1A2 P05177 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2E1 P05181 2/20 0.35
▸ CYP2C8 P10632 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2A6 P11509 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP4B1 P13584 2/20 0.35
▸ CYP2B6 P20813 2/20 0.35
▸ CYP3A5 P20815 2/20 0.35
▸ CYP2A7 P20853 2/20 0.35
▸ CYP3A7 P24462 2/20 0.35
▸ CYP2F1 P24903 2/20 0.35
▸ CYP2C18 P33260 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2J2 P51589 2/20 0.35

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
SCHEMBL5877432 0.88 ALDH1A1 (0.65) ALDH1A1CYP1A1CYP1B1AHRCYP1A2
SCHEMBL21263 0.85 ALDH1A1 (0.69) ALDH1A1CYP1A1CYP1B1AHRCYP1A2
SCHEMBL1816933 0.83 ALDH1A1 (0.65) ALDH1A1CYP1A1CYP1B1AHRCYP1A2
SCHEMBL177674 0.83 TSHR (0.47) ALDH1A1AHRCYP3A4CYP2C19IDO1
SCHEMBL14551872 0.83 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1AHRCYP1A2
SCHEMBL811578 0.80 ALDH1A1 (0.59) ALDH1A1CYP1A1CYP1B1AHRCYP1A2
SCHEMBL14120989 0.79 ALDH1A1 (0.52) ALDH1A1CYP1A1CYP1B1AHRCYP1A2
SCHEMBL4043764 0.77 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1AHRCYP1A2
SCHEMBL3541751 0.77 RAPGEF4 (0.32) ALDH1A1CYP3A4
SCHEMBL6732214 0.73 ALDH1A1 (0.40) ALDH1A1PTGS2

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
US-20240360095-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS AG (CH) 2024-10-31 — — US disclosed
US-10442783-B2 2,3-disubstituted chromen-4-one compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2019-10-15 — — US disclosed
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-9421209-B2 Kinase modulators RHIZEN PHARMACEUTICALS SA (CH) 2016-08-23 — — 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
US-20150174131-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS AG (CH) 2015-06-25 — — US disclosed
US-9018375-B2 Substituted chromenes as kinase modulators RHIZEN PHARMACEUTICALS SA (CH) 2015-04-28 — — 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
US-20140080827-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS SA (CH) 2014-03-20 — — 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 (6 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-10442783-B2 2,3-disubstituted chromen-4-one compounds as modulators of protein kinases PIK3CB, PIK3CD, PDPK1 ALDH1A1 4410/4885CYP1A1 3936/4885CYP1B1 3475/4885
US-20150174131-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB ALDH1A1 4305/4885CYP1A1 4693/4885CYP1B1 4580/4885
US-20240360095-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB ALDH1A1 4305/4885CYP1A1 4693/4885CYP1B1 4580/4885
US-20140080827-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB ALDH1A1 4305/4885CYP1A1 4693/4885CYP1B1 4580/4885
US-20160237046-A9 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CETP, LIPC, PCSK9 ALDH1A1 3741/4885CYP1A1 539/4885CYP1B1 374/4885
US-20150322023-A1 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CETP, LIPC, PCSK9 ALDH1A1 3741/4885CYP1A1 539/4885CYP1B1 374/4885

“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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