SCHEMBL3226416

SCHEMBL3226416

CC(C)CCCCCCCC1(C(=O)O)CCCCC1(CCCCCCCC(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.36
KDM4A O75164 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
CDC25A P30304 2/20 0.35
CETP P11597 1/20 0.35
BLM P54132 1/20 0.35
MMP9 P14780 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TBXAS1 P24557 2/20 0.33
CPB2 Q96IY4 4/20 0.33
CDC25B P30305 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL17506452 1.00 KDM4C (0.36) KDM4CKDM4APHF8KDM2ACDC25A
SCHEMBL3251213 1.00 KDM4C (0.36) KDM4CKDM4APHF8KDM2ACDC25A
SCHEMBL53775 1.00 KDM4C (0.36) KDM4CKDM4APHF8KDM2ACDC25A
SCHEMBL3226808 0.98 BLM (0.36) KDM4CKDM4APHF8KDM2ACDC25A
SCHEMBL5649046 0.94 ACE2 (0.37) CETP
SCHEMBL5643874 0.94 ACE2 (0.37) CETP
SCHEMBL5644239 0.94 CDC25A (0.33) KDM4CKDM4APHF8KDM2ACDC25A
SCHEMBL5647969 0.94 ACE2 (0.37) CETP
SCHEMBL5646941 0.94 ACE2 (0.37) CETP
SCHEMBL5648116 0.94 CDC25A (0.33) KDM4CKDM4APHF8KDM2ACDC25A

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
US-9752008-B2 Esters of cyclohexane polycarboxylic acids as plasticizers in rubber compounds BRIDGESTONE CORPORATION (JP) 2017-09-05 US claimed
US-20140100387-A1 PROCESS FOR PREPARING CYCLOHEXANEPOLYCARBOXYLIC ACID DERIVATIVES HAVING A LOW PROPORTION OF BY-PRODUCTS BASF SE (DE) 2014-04-10 US claimed
US-20130197140-A1 ESTERS OF CYCLOHEXANE POLYCARBOXYLIC ACIDS AS PLASTICIZERS IN RUBBER COMPOUNDS BRIDGESTONE CORPORATION (JP) 2013-08-01 US claimed
US-8383698-B2 Esters of cyclohexane polycarboxylic acids as plasticizers in rubber compounds BRIDGESTONE CORPORATION (JP) 2013-02-26 US claimed
US-20100063178-A1 Esters Of Cyclohexane Polycarboxylic Acids As Plasticizers In Rubber Compounds BRIDGESTONE CORPORATION (JP) 2010-03-11 US claimed
EP-1272033-B1 AGROTECHNICAL FORMULATION BASF AG (DE) 2004-06-09 EP claimed
US-20030069135-A1 Agrotechnical formulation BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 US claimed
US-9939726-B2 Photopolymerizable flexographic printing elements for printing with UV inks FLINT GROUP GERMANY GMBH (DE) 2018-04-10 US disclosed
US-9752008-B2 Esters of cyclohexane polycarboxylic acids as plasticizers in rubber compounds BRIDGESTONE CORPORATION (JP) 2017-09-05 US disclosed
US-9090553-B2 Process for preparing cyclohexanepolycarboxylic acid derivatives having a low proportion of by-products BASF SE (DE) 2015-07-28 US disclosed
US-20140113233-A1 Photopolymerizable Flexographic Printing Elements for Printing with UV Inks FLINT GROUP GERMANY GMBH (DE) 2014-04-24 US disclosed
US-20140100387-A1 PROCESS FOR PREPARING CYCLOHEXANEPOLYCARBOXYLIC ACID DERIVATIVES HAVING A LOW PROPORTION OF BY-PRODUCTS BASF SE (DE) 2014-04-10 US disclosed
US-20130197140-A1 ESTERS OF CYCLOHEXANE POLYCARBOXYLIC ACIDS AS PLASTICIZERS IN RUBBER COMPOUNDS BRIDGESTONE CORPORATION (JP) 2013-08-01 US disclosed
US-8383698-B2 Esters of cyclohexane polycarboxylic acids as plasticizers in rubber compounds BRIDGESTONE CORPORATION (JP) 2013-02-26 US disclosed
US-20100063178-A1 Esters Of Cyclohexane Polycarboxylic Acids As Plasticizers In Rubber Compounds BRIDGESTONE CORPORATION (JP) 2010-03-11 US disclosed
US-6683030-B2 CONTAINING A CYCLOHEXANEPOLYCARBOXYLIC ACID ESTER, ESPECIALLY A DIISOALKYL 1,2-CYCLOHEXANEDICARBOXYLATE; A NONIONIC SURFACTANT; WATER; AND AN ACTIVE PLANT TREATMENT AGENT, E.G, HERBICIDE OR PLANT GROWTH REGULATOR BASF AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
US-20030069135-A1 Agrotechnical formulation BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 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 (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-20030069135-A1 Agrotechnical formulation HACL2, CBR1, ACACA KDM4C 728/4885KDM4A 2995/4885PHF8 1059/4885
US-20140100387-A1 PROCESS FOR PREPARING CYCLOHEXANEPOLYCARBOXYLIC ACID DERIVATIVES HAVING A LOW PROPORTION OF BY-PRODUCTS C9, PCNA, BET1 KDM4C 1033/4885KDM4A 1215/4885PHF8 1632/4885

“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.