SCHEMBL22457793

SCHEMBL22457793

COc1ccc2c(c1)c1cc(OC)ccc1n2-c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2cccc(C#N)c2)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 5/20 0.41
CYP3A4 P08684 5/20 0.41
USP2 O75604 4/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2C9 P11712 3/20 0.41
TSHR P16473 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
LMNA P02545 2/20 0.39
PABPC1 P11940 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL24510245 0.93 L3MBTL1 (0.51) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL24509815 0.89 L3MBTL1 (0.50) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL20282475 0.86 ADORA2A (0.41) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL20282437 0.84 ADORA2A (0.41) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL22016728 0.83 ALDH1A3 (0.41) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL22457923 0.83 ADORA2A (0.37) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL22016733 0.83 ALDH1A3 (0.41) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL19579295 0.83 PIK3R1 (0.42) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL25626421 0.81 KDM4E (0.57) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL20364455 0.81 MAPT (0.46) ALDH1A1MEN1KMT2AHSD17B10KDM4E

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-20220185824-A1 PI-CONJUGATED COMPOUND, METHOD FOR PRODUCING PI-CONJUGATED COMPOUND, INK COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, LIGHT EMITTING MATERIAL, CHARGE TRANSPORT MATERIAL, LIGHT EMITTING FILM AND ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2022-06-16 US disclosed
WO-2020189117-A1 π-CONJUGATED COMPOUND, METHOD FOR PRODUCING π-CONJUGATED COMPOUND, INK COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, LIGHT EMITTING MATERIAL, CHARGE TRANSPORT MATERIAL, LUMINESCENT THIN FILM AND ORGANIC ELECTROLUMINESCENT ELEMENT コニカミノルタ株式会社 2020-09-24 WO 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-20220185824-A1 PI-CONJUGATED COMPOUND, METHOD FOR PRODUCING PI-CONJUGATED COMPOUND, INK COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, LIGHT EMITTING MATERIAL, CHARGE TRANSPORT MATERIAL, LIGHT EMITTING FILM AND ORGANIC ELECTROLUMINESCENT ELEMENT NAP1L1, XPO6, INTS6 ALDH1A1 2207/4885MEN1 1605/4885KMT2A 3402/4885

“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.