SCHEMBL10548147

SCHEMBL10548147

CC(=O)C=CC[C@H](C)CCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 1/20 0.46
▸ LMNA P02545 2/20 0.43
▸ PTPN1 P18031 2/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PTGS1 P23219 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ SNCA P37840 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ CA1 P00915 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL2502156 1.00 BLM (0.46) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL10548139 1.00 BLM (0.46) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL15823715 1.00 BLM (0.46) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL2502158 1.00 BLM (0.46) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL20421415 0.98 BLM (0.48) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL11762171 0.94 LMNA (0.41) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL11762165 0.94 LMNA (0.41) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL11757242 0.88 ALDH1A1 (0.36) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL11757239 0.88 ALDH1A1 (0.36) BLMLMNAPTPN1CYP3A4ALDH1A1
SCHEMBL11764969 0.87 ALDH1A1 (0.40) BLMLMNAPTPN1CYP3A4ALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935176-B1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM (R)-3,7-DIMETYLOCT-6-ENAL DSM IP ASSETS BV (NL) 2018-08-01 — — EP claimed
EP-2935191-B1 PREPARATION OF (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE FROM 3,7-DIMETYLOCT-2-ENAL OR 3,7-DIMETYLOCTA-2,6-DIENAL DSM IP ASSETS BV (NL) 2018-08-01 — — EP claimed
EP-2935176-A1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM (R)-3,7-DIMETYLOCT-6-ENAL DSM IP Assets B.V. (NL) 2015-10-28 — — EP claimed
EP-2935191-A1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM 3,7-DIMETYLOCT-2-ENAL OR 3,7-DIMETYLOCTA-2,6-DIENAL DSM IP Assets B.V. (NL) 2015-10-28 — — EP claimed
WO-2014096063-A1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM 3,7-DIMETYLOCT-2-ENAL OR 3,7-DIMETYLOCTA-2,6-DIENAL DSM IP ASSETS B.V. (NL) 2014-06-26 — — WO claimed
WO-2014096066-A1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM (R)-3,7-DIMETYLOCT-6-ENAL DSM IP ASSETS B.V. (NL) 2014-06-26 — — WO claimed
EP-2935186-B1 POLYTHIOLS AS CIS/TRANS ISOMERIZATION CATALYSTS FOR UNSATURATED COMPOUNDS DSM IP ASSETS BV (NL) 2020-03-25 — — EP disclosed
CN-110563566-A Nitric oxide as a catalyst for cis/trans isomerization of unsaturated compounds 帝斯曼知识产权资产管理有限公司 2019-12-13 — — CN disclosed
EP-2935176-B1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM (R)-3,7-DIMETYLOCT-6-ENAL DSM IP ASSETS BV (NL) 2018-08-01 — — EP disclosed
EP-2935191-B1 PREPARATION OF (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE FROM 3,7-DIMETYLOCT-2-ENAL OR 3,7-DIMETYLOCTA-2,6-DIENAL DSM IP ASSETS BV (NL) 2018-08-01 — — EP disclosed
US-9765002-B2 Polythiols as cis/trans isomerization catalysts for unsaturated compounds DSM IP ASSETS B.V. (NL) 2017-09-19 — — US disclosed
US-9434671-B2 Nitrogen monoxide as cis/trans isomerization catalysts for unsaturated compounds DSM IP ASSETS B.V. (NL) 2016-09-06 — — US disclosed
US-20150321987-A1 NITROGEN MONOXIDE AS CIS/TRANS ISOMERIZATION CATALYSTS FOR UNSATURATED COMPOUNDS DSM IP ASSETS B.V. (NL) 2015-11-12 — — US disclosed
WO-2014096063-A1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM 3,7-DIMETYLOCT-2-ENAL OR 3,7-DIMETYLOCTA-2,6-DIENAL DSM IP ASSETS B.V. (NL) 2014-06-26 — — WO disclosed
WO-2014097172-A1 NITROGEN MONOXIDE AS CIS/TRANS ISOMERIZATION CATALYSTS FOR UNSATURATED COMPOUNDS DSM IP ASSETS B.V. (NL) 2014-06-26 — — WO disclosed
US-4882441-A VITAMIN E DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1989-11-21 — — US disclosed
US-4879395-A Vitamin E intermediate HOFFMANN-LA ROCHE INC. (US) 1989-11-07 — — US disclosed
US-4853472-A Vitamin E intermediates HOFFMANN-LA ROCHE INC. (US) 1989-08-01 — — US disclosed
US-4789750-A 2-(trimethyl-tridecenyl)-tetramethylchroman intermediates for vitamin E HOFFMAN-LA ROCHE INC. (US) 1988-12-06 — — US disclosed
EP-0283946-A1 Novel intermediates useful in preparing vitamin E F. HOFFMANN-LA ROCHE AG (CH) 1988-09-28 — — 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 (1 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-20150321987-A1 NITROGEN MONOXIDE AS CIS/TRANS ISOMERIZATION CATALYSTS FOR UNSATURATED COMPOUNDS FASN, NOS2, NOS1 BLM 3969/4885LMNA 1130/4885PTPN1 4866/4885

“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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