SCHEMBL4451439

SCHEMBL4451439

PC1(c2ccccc2-c2ccccc2C2(P)C3CCCCC2CC3)C2CCCCC1CC2

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
PDK2 Q15119 1/20 0.36

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
SCHEMBL4442727 0.96 KMT2A (0.38) KMT2APDK2
SCHEMBL1394180 0.78 KMT2A (0.40) KMT2APDK2
SCHEMBL1395101 0.77 PDK2 (0.41) KMT2APDK2
SCHEMBL7312265 0.73 PDK2 (0.45) KMT2APDK2
SCHEMBL7819239 0.70 MAPK1 (0.49) KMT2APDK2
SCHEMBL5186123 0.67 KMT2A (0.42) KMT2A
SCHEMBL23071373 0.65 PDK2 (0.33) KMT2APDK2
SCHEMBL7702976 0.64 NR5A2 (0.42)
SCHEMBL2589110 0.64 SLC6A2 (0.47)
SCHEMBL22435811 0.63 KMT2A (0.54) KMT2APDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7057082-B2 Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein SHELL OIL COMPANY (US) 2006-06-06 US claimed
US-20060084832-A1 Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein DRENT EIT 2006-04-20 US claimed
US-20040242949-A1 Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein DRENT EIT (NL) 2004-12-02 US claimed
US-6794553-B2 LIGANDS CONTAINING PHOSPHINE, ARSINE OR STIBINE GROUPS, SUCH AS 1,3-BIS(DIETHYLPHOSPHINO)-PROPANE; NOVEL LIGANDS SUCH AS 1,3-BIS-(1,5- OR 1,4-CYCLOOCTYLENE-PHOSPHINO)-PROPANE; FORMING 1-OCTENE FROM 1,3-BUTADIENE SHELL OIL COMPANY 2004-09-21 US claimed
US-20030130544-A1 Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein SHELL OIL COMPANY 2003-07-10 US claimed
US-7491859-B2 Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein SHELL OIL COMPANY (US) 2009-02-17 US disclosed
US-7098369-B2 Process for the production of primary alcohols SHELL OIL COMPANY (US) 2006-08-29 US disclosed
US-7057082-B2 Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein SHELL OIL COMPANY (US) 2006-06-06 US disclosed
US-20060084832-A1 Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein DRENT EIT 2006-04-20 US disclosed
US-20050261527-A1 Process for the production of primary alcohols DRENT EIT 2005-11-24 US disclosed
EP-1542951-A1 PROCESS FOR THE PRODUCTION OF PRIMARY ALCOHOLS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2005-06-22 EP disclosed
US-20040242949-A1 Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein DRENT EIT (NL) 2004-12-02 US disclosed
US-6794553-B2 LIGANDS CONTAINING PHOSPHINE, ARSINE OR STIBINE GROUPS, SUCH AS 1,3-BIS(DIETHYLPHOSPHINO)-PROPANE; NOVEL LIGANDS SUCH AS 1,3-BIS-(1,5- OR 1,4-CYCLOOCTYLENE-PHOSPHINO)-PROPANE; FORMING 1-OCTENE FROM 1,3-BUTADIENE SHELL OIL COMPANY 2004-09-21 US disclosed
US-20040133050-A1 Process for the production of primary alcohols SHELL OIL COMPANY 2004-07-08 US disclosed
WO-2004029014-A1 PROCESS FOR THE PRODUCTION OF PRIMARY ALCOHOLS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2004-04-08 WO disclosed
US-20030130544-A1 Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein SHELL OIL COMPANY 2003-07-10 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-20040133050-A1 Process for the production of primary alcohols ADH1A, ADH1C, ADH5 KMT2A 186/4885PDK2 93/4885
US-20050261527-A1 Process for the production of primary alcohols CHRM1, ADH1A, CHRM2 KMT2A 701/4885PDK2 83/4885

“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.