SCHEMBL16728765

SCHEMBL16728765

COCCCNC(=O)CCCCCCC(C)CCCCC(C)CCCCCCC(=O)NCCCO

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
HPGD P15428 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 1/20 0.41
NAAA Q02083 1/20 0.41
DNM1 Q05193 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL12090657 0.94 TSHR (0.69) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL4264199 0.94 TSHR (0.69) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL23787581 0.93 TSHR (0.67) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL12840596 0.90 TSHR (0.63) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL13483552 0.89 TSHR (0.61) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL13023957 0.89 TSHR (0.61) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL14065638 0.89 TSHR (0.61) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL12934641 0.89 TSHR (0.61) TSHRHPGDMEN1KMT2ACNR1
SCHEMBL12299083 0.89 TSHR (0.61) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL13423640 0.89 TSHR (0.61) TSHRHPGDMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150136168-A1 HAIR COLORING PROCESS KAO GERMANY GMBH (DE) 2015-05-21 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-20150136168-A1 HAIR COLORING PROCESS NACA, POLR1C, COXFA4L2 TSHR 4243/4885HPGD 2145/4885MEN1 1764/4885

“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.