SCHEMBL28322993

SCHEMBL28322993

Nc1cc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c2[nH]c3ccccc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
HPGD P15428 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
EGFR P00533 1/20 0.40
HTR2B P41595 1/20 0.39
HTR5A P47898 1/20 0.39
TDO2 P48775 1/20 0.39
MAP2 P11137 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 1/20 0.39
NQO2 P16083 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
SCHEMBL29930364 0.93 CDK4 (0.52) CDK4CCND1SMARCA2SMARCA4PBRM1
SCHEMBL21647358 0.93 CDK4 (0.52) CDK4CCND1SMARCA2SMARCA4PBRM1
SCHEMBL28137380 0.85 HPGD (0.45) SMARCA2SMARCA4PBRM1HPGDMAPK1
SCHEMBL27673122 0.84 ESR1 (0.46) CDK4CCND1ESR1ESR2MEN1
SCHEMBL28127569 0.82 CDK4 (0.58) CDK4CCND1HPGDMAPK1HTT
SCHEMBL21219213 0.81 KDM4E (0.50) HPGDSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL28436047 0.81 KIF11 (0.50) CDK4CCND1HPGDMAPK1HTT
SCHEMBL29927316 0.80 CDK4 (0.49) CDK4CCND1SMARCA2SMARCA4PBRM1
SCHEMBL4451071 0.80 CDK4 (0.49) CDK4CCND1SMARCA2SMARCA4PBRM1
SCHEMBL21219214 0.80 HTR2B (0.52) CDK4CCND1HTR2BHTR5ATDO2

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-20220384734-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2022-12-01 US disclosed
CN-110382502-A ORGANIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE 株式会社半导体能源研究所 2019-10-25 CN 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-20220384734-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE MCOLN2, RER1, L1CAM CDK4 1226/4885CCND1 430/4885SMARCA2 822/4885

“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.