SCHEMBL20174434

SCHEMBL20174434

c1ccc2c(c1)-c1ccccc1C21c2cc(-c3cccc4cccnc34)ccc2-c2c1oc1ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
BACE1 P56817 1/20 0.35
GRM4 Q14833 2/20 0.35
BRD4 O60885 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
PDE4D Q08499 1/20 0.33
ATR Q13535 1/20 0.33
ALOX5 P09917 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL20174441 0.96 KDM4E (0.34) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL20174429 0.90 GRM4 (0.34) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL20174401 0.87 GRM4 (0.33) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL20174405 0.86 MCL1 (0.35) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL20174332 0.84 KDM4E (0.36) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL20174403 0.82 PDK2 (0.43) KDM4EALDH1A1HPGDHSD17B10GRM4
SCHEMBL21622659 0.81 KDM4E (0.36) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL20174341 0.80 KDM4E (0.35) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL20174419 0.80 PDK2 (0.46) PDK2
SCHEMBL20174433 0.80 KDM4E (0.36) KDM4EMAPTALDH1A1HPGDHSD17B10

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-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG KDM4E 3633/4885MAPT 811/4885ALDH1A1 33/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG KDM4E 3633/4885MAPT 811/4885ALDH1A1 33/4885

“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.