SCHEMBL20837222

SCHEMBL20837222

In1c2cccc(Cn3c4ccccc4c4ccccc43)c2c2c(Cn3c4ccccc4c4ccccc43)cccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.48
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CHRNE Q04844 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ P2RX4 Q99571 1/20 0.40
▸ BACE1 P56817 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4A O75164 1/20 0.37

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
SCHEMBL19652294 0.83 CYP19A1 (0.53) CYP19A1CYP1A2CYP2C19CHRNEALDH1A1
SCHEMBL14492832 0.81 CYP19A1 (0.59) CYP19A1CYP1A2CYP2C19CHRNEALDH1A1
SCHEMBL24631967 0.75 BCHE (0.54) CYP19A1CYP1A2CYP2C19CHRNEALDH1A1
SCHEMBL14492829 0.74 CYP19A1 (0.61) CYP19A1CYP1A2CYP2C19ALDH1A1P2RX4
SCHEMBL18616020 0.73 KDM4E (0.56) CYP19A1CYP1A2CYP2C19P2RX4KDM4E
SCHEMBL19793268 0.72 CHRNE (0.43) CYP19A1CYP1A2CYP2C19CHRNEALDH1A1
SCHEMBL12683113 0.72 CYP19A1 (0.53) CYP19A1CYP1A2CYP2C19CHRNEALDH1A1
SCHEMBL30616072 0.72 CYP19A1 (0.53) CYP19A1CYP1A2CYP2C19ALDH1A1P2RX4
SCHEMBL29093697 0.72 CYP19A1 (0.53) CYP19A1CYP1A2CYP2C19ALDH1A1P2RX4
SCHEMBL30616063 0.72 CHRNE (0.63) CYP19A1CYP1A2CYP2C19CHRNEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844065-B2 Heterocyclic compound, and organic electroluminescence device and organic electroluminescence display device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-24 — — US disclosed
US-20190084986-A1 HETEROCYCLIC COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-21 — — 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-10844065-B2 Heterocyclic compound, and organic electroluminescence device and organic electroluminescence display device including the same CCND2, CCND1, ODC1 CYP19A1 193/4885CYP1A2 44/4885CYP2C19 79/4885
US-20190084986-A1 HETEROCYCLIC COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DISPLAY DEVICE INCLUDING THE SAME CCND2, CCND1, ODC1 CYP19A1 193/4885CYP1A2 44/4885CYP2C19 79/4885

“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.

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