SCHEMBL24026040

SCHEMBL24026040

C=C/C(=C\c1c(C)n(-c2ccc(C#N)c(C#N)c2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc12)c1ccc2c(c1)c1ccccc1n2-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTGER4 P35408 3/20 0.33
▸ SLC22A12 Q96S37 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ AKR1C4 P17516 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ AKR1C1 Q04828 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL25024928 0.85 KDM4E (0.38) ALDH1A1LMNAHPGDSMN1; SMN2PTGER4
SCHEMBL18542855 0.84 RORC (0.38) ALDH1A1LMNAHPGDSMN1; SMN2PTGER4
SCHEMBL22408862 0.83 KDM4E (0.42) ALDH1A1LMNAHPGDSMN1; SMN2PTGER4
SCHEMBL25044110 0.79 AKR1C4 (0.32) PTGER4AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL17930853 0.79 ALDH1A1 (0.51) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL15248188 0.79 ALDH1A1 (0.51) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL17935129 0.78 ALDH1A1 (0.50) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL17935134 0.78 ALDH1A1 (0.50) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL25737373 0.78 PTGER4 (0.35) LMNAHPGDSMN1; SMN2PTGER4KDM4E
SCHEMBL17934947 0.76 ALDH1A1 (0.51) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210359222-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2021-11-18 — — 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-20210359222-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE RXFP4, RER1, RXFP1 ALDH1A1 2155/4885LMNA 3551/4885HPGD 4072/4885

“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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