SCHEMBL2863259

SCHEMBL2863259

CC(C)c1cccc(OP(Oc2cccc(C(C)C)c2)Oc2cccc(C(C)C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HDAC4 P56524 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MDM4 O15151 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TYR P14679 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL26769372 0.84 KDM4E (0.45) KDM4ETSHRHDAC4HDAC8ALDH1A1
SCHEMBL31604177 0.84 KDM4E (0.45) KDM4ETSHRHDAC4HDAC8ALDH1A1
SCHEMBL11063307 0.80 PTGS1 (0.56) KDM4ETSHRHDAC4HDAC8ALDH1A1
SCHEMBL30345552 0.80 PTGS1 (0.56) KDM4ETSHRHDAC4HDAC8ALDH1A1
SCHEMBL11703421 0.80 KDM4E (0.42) KDM4ETSHRHDAC4HDAC8ALDH1A1
SCHEMBL15849013 0.78 PTGS1 (0.55) KDM4ETSHRHDAC4HDAC8ALDH1A1
SCHEMBL30601580 0.78 HDAC4 (0.55) KDM4ETSHRHDAC4HDAC8ALDH1A1
SCHEMBL84440 0.78 HDAC4 (0.55) KDM4ETSHRHDAC4HDAC8ALDH1A1
SCHEMBL11685628 0.77 KDM4E (0.49) KDM4ETSHRHDAC4HDAC8ALDH1A1
SCHEMBL3757562 0.77 KDM4E (0.49) KDM4ETSHRHDAC4HDAC8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2980060-B1 METHOD FOR PRODUCING DIALDEHYDE KURARAY CO (JP) 2020-10-28 — — EP disclosed
US-9464018-B2 Method for producing dialdehyde KURARAY CO., LTD. (JP) 2016-10-11 — — US disclosed
US-20160052852-A1 METHOD FOR PRODUCING DIALDEHYDE KURARAY CO., LTD. (JP) 2016-02-25 — — US disclosed
EP-2980060-A1 METHOD FOR PRODUCING DIALDEHYDE Kuraray Co., Ltd. (JP) 2016-02-03 — — EP disclosed
US-7842843-B2 Mixture containing 1,3-butadiene and process for producing the same KURARAY CO., LTD. (JP) 2010-11-30 — — US disclosed
EP-1789424-B1 PROCESS FOR PREPARING DIARYL ALKYLPHOSPHONATES AND OLIGOMERIC/POLYMERIC DERIVATIVES THEREOF ICL IP AMERICA (US) 2010-08-25 — — EP disclosed
EP-1728796-B1 BISPHOSPHITE AND PROCESS FOR PRODUCING ALDEHYDE COMPOUND WITH THE BISPHOSPHITE KURARAY CO LTD KURASHIKI PLANT (JP) 2010-03-17 — — EP disclosed
US-7541415-B2 Process for preparing diaryl alkylphosphonates and oligomeric/polymeric derivatives thereof SUPRESTA LLC (US) 2009-06-02 — — US disclosed
US-7491850-B2 Useful component of catalysts used in the hydroformylation of olefins with carbon monoxide and hydrogen; reaction under milder conditions KURARAY CO., LTD. (JP) 2009-02-17 — — US disclosed
US-20080045673-A1 Process for Preparing Diaryl Alkylphosphonates and Oligomeric/Polymeric Derivatives Thereof ICL-IP AMERICA INC. 2008-02-21 — — US disclosed
US-20070197834-A1 Useful component of catalysts used in the hydroformylation of olefins with carbon monoxide and hydrogen; reaction under milder conditions KURARAY CO., LTD (JP) 2007-08-23 — — US disclosed
EP-1795578-A2 Mixture containing 1, 3-Butadiene and process for producing the same Kuraray Co., Ltd. (JP) 2007-06-13 — — EP disclosed
US-20070123738-A1 MIXTURE CONTAINING 1,3-BUTADIENE AND PROCESS FOR PRODUCING THE SAME KURARAY CO., LTD (JP) 2007-05-31 — — US disclosed
EP-1789424-A1 PROCESS FOR PREPARING DIARYL ALKYLPHOSPHONATES AND OLIGOMERIC/POLYMERIC DERIVATIVES THEREOF Supresta LLC (US) 2007-05-30 — — EP disclosed
EP-1728796-A1 BISPHOSPHITE AND PROCESS FOR PRODUCING ALDEHYDE COMPOUND WITH THE BISPHOSPHITE Kuraray Co., Ltd., Kurashiki Plant (JP) 2006-12-06 — — EP disclosed
WO-2006026616-A1 PROCESS FOR PREPARING DIARYL ALKYLPHOSPHONATES AND OLIGOMERIC/POLYMERIC DERIVATIVES THEREOF SUPRESTA LLC (US) 2006-03-09 — — WO disclosed
US-4377537-A FROM TRIARYL PHOSPHITE AND ALKYL PHOSPHITE OR PHOSPHONOUS ACID DIARYL ESTER AND PHOSPHONOUS ACID DIALKYL ESTER BAYER AKTIENGESELLSCHAFT (DE) 1983-03-22 — — 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 (3 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-20070123738-A1 MIXTURE CONTAINING 1,3-BUTADIENE AND PROCESS FOR PRODUCING THE SAME TELO2, MSMO1, HBG1 KDM4E 573/4885TSHR 4283/4885HDAC4 1125/4885
US-20160052852-A1 METHOD FOR PRODUCING DIALDEHYDE ENO1, ALDH1A2, DERA KDM4E 3143/4885TSHR 1356/4885HDAC4 2877/4885
US-20070197834-A1 Useful component of catalysts used in the hydroformylation of olefins with carbon monoxide and hydrogen; reaction under milder conditions OXER1, OXGR1, OXSR1 KDM4E 3124/4885TSHR 2553/4885HDAC4 3789/4885

“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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