SCHEMBL585472

SCHEMBL585472

COC(=O)CCc1ccc(OC)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.56
POLB P06746 1/20 0.53
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CNR1 P21554 3/20 0.50
ALDH1A1 P00352 1/20 0.50
CNR2 P34972 1/20 0.49

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
SCHEMBL10504876 0.88 MEN1 (0.62) APLNRPOLBNPC1PKMRAB9A
SCHEMBL64208 0.87 MTNR1A (0.61) RAB9AMEN1KMT2A
SCHEMBL10784792 0.87 POLB (0.55) APLNRPOLBNPC1PKMRAB9A
SCHEMBL491098 0.86 POLB (0.54) APLNRPOLBNPC1PKMRAB9A
SCHEMBL490637 0.85 POLB (0.71) APLNRPOLBNPC1PKMRAB9A
SCHEMBL266527 0.85 NPC1 (0.58) APLNRPOLBNPC1PKMRAB9A
SCHEMBL435484 0.84 F2 (0.49) POLBMEN1KMT2A
SCHEMBL19006513 0.84 MAPT (0.50) NPC1RAB9AKMT2AALDH1A1
SCHEMBL1924061 0.84 POLB (0.56) POLBKMT2AALDH1A1
SCHEMBL63388 0.84 KMT2A (0.55) POLBNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916723-B2 Substituted cyclohexane-1, 3-dione compounds, process for preparation thereof and its applications COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-23 US claimed
US-20130079545-A1 SUBSTITUTED CYCLOHEXANE-1, 3-DIONE COMPOUNDS, PROCESS FOR PREPARATION THEREOF AND ITS APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-03-28 US claimed
WO-2011117881-A2 SUBSTITUTED CYCLOHEXANE-1, 3-DIONE COMPOUNDS, PROCESS FOR PREPARATION THEREOF AND ITS APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-09-29 WO claimed
EP-3805237-A1 SYNTHESIS AND USES OF PEPTIDE BORATE ESTER COMPOUND Jiangsu Chia Tai Fenghai Pharmaceutical Co., Ltd. (CN) 2021-04-14 EP disclosed
WO-2019228299-A1 SYNTHESIS AND USES OF PEPTIDE BORATE ESTER COMPOUND 江苏正大丰海制药有限公司 (CN) 2019-12-05 WO disclosed
US-8916723-B2 Substituted cyclohexane-1, 3-dione compounds, process for preparation thereof and its applications COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-23 US disclosed
US-8916723-B2 Substituted cyclohexane-1, 3-dione compounds, process for preparation thereof and its applications COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-23 US disclosed
US-20130079545-A1 SUBSTITUTED CYCLOHEXANE-1, 3-DIONE COMPOUNDS, PROCESS FOR PREPARATION THEREOF AND ITS APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-03-28 US disclosed
US-20130079545-A1 SUBSTITUTED CYCLOHEXANE-1, 3-DIONE COMPOUNDS, PROCESS FOR PREPARATION THEREOF AND ITS APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-03-28 US disclosed
US-8188082-B2 5,6,7,8-tetrahydro-imidazo[1,5-α]pyrazine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-29 US disclosed
EP-2125823-B1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed
WO-2011117881-A2 SUBSTITUTED CYCLOHEXANE-1, 3-DIONE COMPOUNDS, PROCESS FOR PREPARATION THEREOF AND ITS APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-09-29 WO disclosed
WO-2011117881-A2 SUBSTITUTED CYCLOHEXANE-1, 3-DIONE COMPOUNDS, PROCESS FOR PREPARATION THEREOF AND ITS APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-09-29 WO disclosed
US-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-15 US disclosed
EP-2125823-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
WO-2008078291-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 WO disclosed
EP-0322348-B1 Acidically non-stable anchoring groups for solid-phase peptide amide synthesis HOECHST AG (DE) 1994-02-02 EP disclosed
US-5124478-A ACID-LABILE ANCHOR GROUPS FOR THE SYNTHESIS OF PEPTIDE AMIDES BY A SOLID-PHASE METHOD HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-23 US disclosed
EP-0322348-A2 Acidically non-stable anchoring groups for solid-phase peptide amide synthesis HOECHST AKTIENGESELLSCHAFT (DE) 1989-06-28 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-20130079545-A1 SUBSTITUTED CYCLOHEXANE-1, 3-DIONE COMPOUNDS, PROCESS FOR PREPARATION THEREOF AND ITS APPLICATIONS DDT, DDC, DAO APLNR 660/4885POLB 2840/4885NPC1 3337/4885
US-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES HCRTR1, HCRTR2, NPY5R APLNR 699/4885POLB 4712/4885NPC1 936/4885

“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.