SCHEMBL811625

SCHEMBL811625

CCC(C)CC(=O)CC(C)CCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.48
LMNA P02545 1/20 0.46
PTPN1 P18031 2/20 0.37
ALOX15 P16050 3/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35
ACE2 Q9BYF1 1/20 0.33
CA1 P00915 2/20 0.32
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6271680 0.91 BLM (0.56) BLMLMNAPTPN1ALOX15MEN1
SCHEMBL11453396 0.83 BLM (0.48) BLMLMNAPTPN1ALOX15MEN1
SCHEMBL11405869 0.83 BLM (0.39) BLMLMNAPTPN1CA1ALDH1A1
SCHEMBL11445909 0.83 BLM (0.48) BLMLMNAPTPN1ALOX15MEN1
SCHEMBL1509686 0.82 TDP1 (0.37) CA1CYP2C19ALDH1A1TDP1
SCHEMBL11405886 0.80 TSHR (0.44) CYP3A4ACE2CA1CYP2C19TDP1
Bicarbonate SCHEMBL17847293 0.80 BLM (0.59) BLMLMNAPTPN1ALOX15MEN1
SCHEMBL107548 0.80 CYP2C19 (0.46) CA1CYP2C19ALDH1A1TDP1
SCHEMBL107898 0.78 CA1 (0.44) BLMCA1ALDH1A1TDP1
SCHEMBL28716932 0.78 ACE2 (0.47) ACE2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386535-B1 Method for producing aldehyde and ketone SHINETSU CHEMICAL CO (JP) 2014-06-25 EP disclosed
US-8383863-B2 Method for producing aldehyde and ketone SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-20110282102-A1 Method for Producing Aldehyde and Ketone SHIN-ETSU CHEMICAL CO., LTD. 2011-11-17 US disclosed
EP-2386535-A1 Method for producing aldehyde and ketone Shin-Etsu Chemical Co., Ltd. (JP) 2011-11-16 EP disclosed
US-8041455-B2 Robotic cart pulling vehicle AETHON, INC. (US) 2011-10-18 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 (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-20110282102-A1 Method for Producing Aldehyde and Ketone ADH1C, ADH1A, ADH5 BLM 4373/4885LMNA 3407/4885PTPN1 4545/4885

“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.