SCHEMBL21729920

SCHEMBL21729920

CC1(C)c2cc(-c3c4ccccc4c(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc34)ccc2-c2c1ccc1ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.34
ALDH1A1 P00352 8/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAOB P27338 1/20 0.32
HPGD P15428 4/20 0.32
GLA P06280 3/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ABCG2 Q9UNQ0 2/20 0.32
SIRT2 Q8IXJ6 2/20 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
SCHEMBL20412632 0.93 PGR (0.31) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL17944370 0.93 HSP90AA1 (0.35) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL24363033 0.90 ALDH1A1 (0.33) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL20127299 0.90 ABCG2 (0.35) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL24285507 0.89 AHR (0.35) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL16067719 0.88 ARSA (0.34) KDM4EALDH1A1MAPTKMT2AMAPK1
SCHEMBL17944239 0.87 HSP90AA1 (0.33) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL22062659 0.87 KDM4E (0.33) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL20127620 0.87 ALOX5 (0.34) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL17851608 0.87 KDM4E (0.32) KDM4EALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210336154-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPLIANCE USING THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2021-10-28 US disclosed
US-20210320251-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPLIANCE IDEMITSU KOSAN CO.,LTD. (JP) 2021-10-14 US disclosed
US-20200212315-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, AND COMPOUND IDEMITSU KOSAN CO.,LTD. (JP) 2020-07-02 US disclosed
US-20200185620-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-06-11 US disclosed
US-20200181160-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-06-11 US disclosed
WO-2020036197-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE USING SAME 出光興産株式会社 2020-02-20 WO 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 (4 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-20210320251-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPLIANCE OLA1, TAS2R19, TMEM109 KDM4E 1466/4885ALDH1A1 541/4885MAPT 2477/4885
US-20200212315-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, AND COMPOUND OR10J3, ESR1, NFE2L2 KDM4E 2780/4885ALDH1A1 524/4885MAPT 3295/4885
US-20200181160-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE AHR, EMC2, NFE2L2 KDM4E 1043/4885ALDH1A1 2099/4885MAPT 2800/4885
US-20200185620-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE EMC2, NFE2L2, AOC2 KDM4E 1152/4885ALDH1A1 1970/4885MAPT 2667/4885

“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.