SCHEMBL4572068

SCHEMBL4572068

CC(C)=CCC/C(C)=C/CCI

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
MAPT P10636 2/20 0.64
MEN1 O00255 2/20 0.64
CYP3A4 P08684 2/20 0.64
ALOX15 P16050 2/20 0.64
ALDH1A1 P00352 1/20 0.64
UGT1A1 P22309 1/20 0.64
SQLE Q14534 7/20 0.61
KDM4E B2RXH2 1/20 0.57
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
ICMT O60725 1/20 0.50

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
SCHEMBL9304561 1.00 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL9304569 1.00 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL16671458 1.00 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8621737 0.86 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8623413 0.86 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL9128197 0.86 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8621731 0.86 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8623417 0.86 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL21631695 0.86 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL21631709 0.86 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758500-B2 Process for the preparation of (3E, 7E)-homofarnesol BASF SE (DE) 2017-09-12 US disclosed
US-9758500-B2 Process for the preparation of (3E, 7E)-homofarnesol BASF SE (DE) 2017-09-12 US disclosed
US-20170029396-A1 PROCESS FOR THE PREPARATION OF (3E, 7E)-HOMOFARNESOL BASF SE (DE) 2017-02-02 US disclosed
US-20170029396-A1 PROCESS FOR THE PREPARATION OF (3E, 7E)-HOMOFARNESOL BASF SE (DE) 2017-02-02 US disclosed
US-9493385-B2 Process for the preparation of (3E, 7E)-homofarnesol BASF SE (DE) 2016-11-15 US disclosed
US-9493385-B2 Process for the preparation of (3E, 7E)-homofarnesol BASF SE (DE) 2016-11-15 US disclosed
US-20160200648-A1 PROCESS FOR THE PREPARATION OF (3E, 7E)-HOMOFARNESOL BASF SE (DE) 2016-07-14 US disclosed
US-20160200648-A1 PROCESS FOR THE PREPARATION OF (3E, 7E)-HOMOFARNESOL BASF SE (DE) 2016-07-14 US disclosed
WO-2013156398-A1 IMPROVED PROCESS FOR PREPARING (3E,7E)-HOMOFARNESOL BASF SE (DE) 2013-10-24 WO disclosed
US-20130273619-A1 Process for the Preparation of (3E, 7E)-Homofarnesol BASF SE (DE) 2013-10-17 US disclosed
US-20130273619-A1 Process for the Preparation of (3E, 7E)-Homofarnesol BASF SE (DE) 2013-10-17 US disclosed
EP-2452679-A1 CYTOPROTECTIVE AGENT National University Corporation Tokyo University Of Agriculture and Technology (JP) 2012-05-16 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 (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-20160200648-A1 PROCESS FOR THE PREPARATION OF (3E, 7E)-HOMOFARNESOL CYP8B1, CYP4F3, CYP2J2 KMT2A 3917/4885MAPT 4761/4885MEN1 4239/4885
US-20170029396-A1 PROCESS FOR THE PREPARATION OF (3E, 7E)-HOMOFARNESOL CYP8B1, CYP4F3, CYP2J2 KMT2A 3917/4885MAPT 4761/4885MEN1 4239/4885
US-20130273619-A1 Process for the Preparation of (3E, 7E)-Homofarnesol CYP8B1, CYP4F3, CYP2J2 KMT2A 3917/4885MAPT 4761/4885MEN1 4239/4885

“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.