SCHEMBL21710705

SCHEMBL21710705

c1ccc(-c2cc3c4ccccc4n4c5ccc6ccccc6c5c(c2)c34)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.36
CYP1A1 P04798 2/20 0.35
ABCG2 Q9UNQ0 2/20 0.35
CYP1A2 P05177 1/20 0.35
FYN P06241 1/20 0.35
MAPK3 P27361 1/20 0.35
AHR P35869 1/20 0.35
PAX8 Q06710 1/20 0.35
HTR6 P50406 2/20 0.35
KDM4E B2RXH2 5/20 0.33
HSD17B10 Q99714 3/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
CYP1B1 Q16678 2/20 0.33
HPGD P15428 2/20 0.33
TSPO P30536 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
TDP1 Q9NUW8 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
SCHEMBL21710472 0.99 PTGES (0.38) PTGESCYP1A1ABCG2CYP1A2FYN
SCHEMBL21710474 0.99 PTGES (0.35) PTGESCYP1A1ABCG2CYP1A2FYN
SCHEMBL21710477 0.96 PTGES (0.34) PTGESCYP1A1ABCG2CYP1A2FYN
SCHEMBL21717362 0.90 PTGES (0.34) PTGESCYP1A1ABCG2CYP1A2FYN
SCHEMBL22858082 0.90 KDM4E (0.36) PTGESCYP1A1ABCG2CYP1A2FYN
SCHEMBL21710479 0.89 HPRT1 (0.35) PTGESCYP1A2FYNAHRHSD17B10
SCHEMBL22858081 0.87 CYP1A2 (0.36) PTGESCYP1A1CYP1A2FYNAHR
SCHEMBL22858085 0.87 ALDH1A1 (0.36) PTGESCYP1A1CYP1A2FYNAHR
SCHEMBL21710708 0.86 CA1 (0.40) PTGESKMT2AMEN1
SCHEMBL25965130 0.86 L3MBTL1 (0.44) PTGESKDM4EHSD17B10TSHRALDH1A1

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-11723272-B2 Organic electroluminescence element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-08-08 US disclosed
US-11723272-B2 Organic electroluminescence element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-08-08 US disclosed
US-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO., LTD. (JP) 2021-01-07 US disclosed
US-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2021-01-07 US disclosed
US-20200052212-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 US disclosed
US-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 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 (3 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-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE LEF1, L1CAM, ESR2 PTGES 2858/4885CYP1A1 1024/4885ABCG2 2297/4885
US-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE OR51E2, CD99, CTNND1 PTGES 4031/4885CYP1A1 331/4885ABCG2 2774/4885
US-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS EML4, EBPL, LEF1 PTGES 4447/4885CYP1A1 1946/4885ABCG2 404/4885

“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.