SCHEMBL20199613

SCHEMBL20199613

c1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3ccccc32)c2cc3c(cc21)c1ccc2ccccc2c1n3-c1ccc2oc3ccccc3c2c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
AHR P35869 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR55 Q9Y2T6 1/20 0.30
GLA P06280 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL20199734 0.95 KDM4E (0.33) SIRT2SIRT1KDM4EMAPTHPGD
SCHEMBL20199666 0.95 SIRT2 (0.34) SIRT2SIRT1KDM4EMAPTHPGD
SCHEMBL20696645 0.94 SIRT2 (0.35) SIRT2SIRT1KDM4EMAPTHPGD
SCHEMBL23738890 0.89 SIRT2 (0.31) SIRT2SIRT1
SCHEMBL23739035 0.89 SIRT2 (0.31) SIRT2SIRT1
SCHEMBL23738934 0.88
SCHEMBL23738819 0.88
SCHEMBL20199713 0.86 SIRT2 (0.33) SIRT2SIRT1KDM4EMAPTHPGD
SCHEMBL20199600 0.86 SIRT2 (0.33) SIRT2SIRT1KDM4EMAPTHPGD
SCHEMBL23739034 0.85 PTGER4 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001752-B2 Double spiro organic compound and organic electronic element comprising same LG CHEM, LTD. (KR) 2021-05-11 US disclosed
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 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-11001752-B2 Double spiro organic compound and organic electronic element comprising same DCX, TERT, TELO2 SIRT2 51/4885SIRT1 133/4885KDM4E 1392/4885
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME DCX, TERT, TELO2 SIRT2 51/4885SIRT1 133/4885KDM4E 1392/4885

“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.