SCHEMBL818906

SCHEMBL818906

CCCCC(C)C(CO)CCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.40
DNM1 Q05193 2/20 0.35
FDPS P14324 1/20 0.34
CYP2D6 P10635 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34
GMNN O75496 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 1/20 0.34
HTT P42858 1/20 0.34
UBE2N P61088 1/20 0.34

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
SCHEMBL273958 0.92 ALDH1A1 (0.48) ALDH1A1LMNATSHRDNM1FDPS
SCHEMBL15939023 0.91 LMNA (0.54) ALDH1A1LMNATSHRFDPSCYP2D6
SCHEMBL29020574 0.91 LMNA (0.54) ALDH1A1LMNATSHRFDPSCYP2D6
SCHEMBL1614491 0.90 ALDH1A1 (0.46) ALDH1A1LMNATSHRDNM1FDPS
SCHEMBL12348426 0.89 LMNA (0.39) ALDH1A1LMNATSHRFDPSCYP2D6
SCHEMBL10876729 0.87 ACE2 (0.41) ALDH1A1LMNATSHRDNM1FDPS
SCHEMBL10836623 0.84 LMNA (0.52) ALDH1A1LMNATSHRCYP2D6SPHK1
SCHEMBL6463333 0.84 ALDH1A1 (0.55) ALDH1A1LMNATSHRDNM1FDPS
SCHEMBL21879679 0.83 LMNA (0.50) ALDH1A1LMNATSHRFDPSCYP2D6
SCHEMBL18124655 0.82 ALDH1A1 (0.48) ALDH1A1LMNATSHRDNM1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765003-B2 Process for producing 2,6-dimethyl-5-hepten-1-al BASF SE (DE) 2017-09-19 US disclosed
US-20170183280-A1 PROCESS FOR PRODUCING 2,6-DIMETHYL-5-HEPTEN-1-AL BASF SE (DE) 2017-06-29 US disclosed
EP-3140272-A1 PROCESS FOR PRODUCING 2,6-DIMETHYL-5-HEPTEN-1-AL BASF SE (DE) 2017-03-15 EP disclosed
WO-2015169721-A1 PROCESS FOR PRODUCING 2,6-DIMETHYL-5-HEPTEN-1-AL BASF SE (DE) 2015-11-12 WO disclosed
EP-2384317-B1 METHOD FOR PRODUCING KETONES BY CONVERTING 1.1-DISUBSTITUTED OLEFINES BY MEANS OF N2O BASF SE (DE) 2014-04-23 EP disclosed
US-8420866-B2 Process for preparing ketones by reacting 1,1-disubstituted olefins with N2O BASF SE (DE) 2013-04-16 US disclosed
EP-2384317-A1 METHOD FOR PRODUCING KETONES BY CONVERTING 1.1-DISUBSTITUTED OLEFINES BY MEANS OF N2O BASF SE (DE) 2011-11-09 EP disclosed
US-20110269996-A1 PROCESS FOR PREPARING KETONES BY REACTING 1,1-DISUBSTITUTED OLEFINS WITH N2O BASF SE (DE) 2011-11-03 US disclosed
WO-2010076182-A1 METHOD FOR PRODUCING KETONES BY CONVERTING 1.1-DISUBSTITUTED OLEFINES BY MEANS OF N2O BASF SE (DE) 2010-07-08 WO disclosed
EP-0665223-A1 Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-02 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 (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-20110269996-A1 PROCESS FOR PREPARING KETONES BY REACTING 1,1-DISUBSTITUTED OLEFINS WITH N2O OXER1, CYP2E1, CYP2F1 ALDH1A1 526/4885LMNA 3733/4885TSHR 4660/4885
US-20170183280-A1 PROCESS FOR PRODUCING 2,6-DIMETHYL-5-HEPTEN-1-AL CYP8B1, CYP51A1, MSMO1 ALDH1A1 423/4885LMNA 884/4885TSHR 4850/4885

“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.