SCHEMBL21168903

SCHEMBL21168903

c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c5ccc6ccccc6c5n(-c5cc6ccccc6c6ccccc56)c4cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 2/20 0.34
CASP1 P29466 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
PDE10A Q9Y233 2/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL21168914 0.97 CYP1A2 (0.35) CYP1A2CYP2C9CYP2C19HSD17B10CASP1
SCHEMBL21168902 0.91 GSR (0.40) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL19507603 0.89 KDM4E (0.36) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL21168882 0.88 ESR1 (0.36) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL21168867 0.88 ESR1 (0.36) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL21168718 0.88 DHODH (0.36) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL21168717 0.88 DHODH (0.36) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL21168916 0.88 GSR (0.39) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL21168811 0.87 KDM4E (0.39) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL21168824 0.87 ALDH1A1 (0.40) CYP1A2CYP2C9CYP2C19HSD17B10CASP1

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-20210328152-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2021-10-21 US disclosed
US-20200058882-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2020-02-20 US disclosed
US-20190355912-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-11-21 US disclosed
US-20190221752-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2019-07-18 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 (1 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-20190221752-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME EPCAM, OR10J3, L1CAM CYP1A2 2229/4885CYP2C9 931/4885CYP2C19 1883/4885

“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.