SCHEMBL811630

SCHEMBL811630

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
UGT1A1 P22309 1/20 0.41
SQLE Q14534 4/20 0.40
ATM Q13315 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL16359707 0.83 KMT2A (0.54) KMT2AKDM4EMEN1CYP3A4ALOX15
SCHEMBL795270 0.83 KMT2A (0.54) KMT2AKDM4EMEN1CYP3A4ALOX15
SCHEMBL795271 0.83 KMT2A (0.54) KMT2AKDM4EMEN1CYP3A4ALOX15
SCHEMBL5384704 0.80 KMT2A (0.57) KMT2AKDM4EMEN1CYP3A4ALOX15
SCHEMBL5384707 0.80 KMT2A (0.57) KMT2AKDM4EMEN1CYP3A4ALOX15
SCHEMBL808086 0.77 KMT2A (0.56) KMT2AKDM4EMEN1CYP3A4ALOX15
SCHEMBL1616971 0.77 KMT2A (0.56) KMT2AKDM4EMEN1CYP3A4ALOX15
SCHEMBL1617090 0.77 KMT2A (0.56) KMT2AKDM4EMEN1CYP3A4ALOX15
SCHEMBL15012860 0.76 KMT2A (0.47) KMT2AKDM4EMEN1CYP3A4ALOX15
SCHEMBL21241009 0.76 KMT2A (0.61) KMT2AKDM4EMEN1CYP3A4ALOX15

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 KMT2A 445/4885KDM4E 1067/4885MEN1 4374/4885

“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.