SCHEMBL22062787

SCHEMBL22062787

c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7cc8ccccc8cc7c6c5)c5ccccc45)c4ccccc34)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
PLA2G2A P14555 3/20 0.38
PLA2G4A P47712 3/20 0.38
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ALOX5 P09917 1/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR84 Q9NQS5 3/20 0.35
KMT2A Q03164 2/20 0.34

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
SCHEMBL17931950 0.99 ESR1 (0.41) ESR1ESR2PLA2G2APLA2G4AKDM4E
SCHEMBL19081601 0.97 ESR1 (0.40) ESR1ESR2PLA2G2APLA2G4AKDM4E
SCHEMBL22062781 0.96 PLA2G2A (0.40) ESR1ESR2PLA2G2APLA2G4AKDM4E
SCHEMBL22063354 0.95 ESR1 (0.40) ESR1ESR2PLA2G2APLA2G4AKDM4E
SCHEMBL17932067 0.94 PGR (0.40) ESR1ESR2PLA2G2APLA2G4AKDM4E
SCHEMBL16067770 0.93 ESR1 (0.38) ESR1ESR2PLA2G2APLA2G4AKDM4E
SCHEMBL24341073 0.92 HPGD (0.40) ESR1ESR2PLA2G2APLA2G4AKDM4E
SCHEMBL24343051 0.92 HPGD (0.40) ESR1ESR2PLA2G2APLA2G4AKDM4E
SCHEMBL19080019 0.90 ESR1 (0.41) ESR1ESR2KDM4EMAPTHPGD
SCHEMBL17931956 0.90 ESR1 (0.41) ESR1ESR2KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ESR1 171/4885ESR2 105/4885PLA2G2A 2077/4885
US-20200212315-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, AND COMPOUND OR10J3, ESR1, NFE2L2 ESR1 2/4885ESR2 7/4885PLA2G2A 1906/4885
US-20200181160-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE AHR, EMC2, NFE2L2 ESR1 61/4885ESR2 16/4885PLA2G2A 4761/4885
US-20200185620-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE EMC2, NFE2L2, AOC2 ESR1 45/4885ESR2 10/4885PLA2G2A 4685/4885

“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.