SCHEMBL21391824

SCHEMBL21391824

O=C(Cl)C1CCCCCC(C(=O)Cl)CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.43
HSD11B1 P28845 6/20 0.39
EPHX1 P07099 4/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB3 Q05901 2/20 0.37
CHRNA6 Q15825 2/20 0.37
HSD11B2 P80365 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL13368687 0.97 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL9013430 0.97 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL2154567 0.97 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL1420 0.97
SCHEMBL1477908 0.97 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL9010935 0.97 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL16317826 0.97 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL21391916 0.97 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL14273180 0.97 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL8294928 0.97 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319282-B2 Diamine compound and method for producing same LG CHEM, LTD. (KR) 2022-05-03 US disclosed
US-20190292138-A1 DIAMINE COMPOUND AND METHOD FOR PRODUCING SAME LG CHEM, LTD. (KR) 2019-09-26 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 (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-20190292138-A1 DIAMINE COMPOUND AND METHOD FOR PRODUCING SAME DDC, CAD, AOC1 CES2 4598/4885CES1 4869/4885HDAC8 2180/4885
US-11319282-B2 Diamine compound and method for producing same DDC, CAD, AOC1 CES2 4598/4885CES1 4869/4885HDAC8 2180/4885

“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.