SCHEMBL29892200

SCHEMBL29892200

CC1(C)c2ccccc2-c2cc3ccccc3cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 12/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 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
SCHEMBL16234257 1.00 PDK2 (0.40) PDK2ALDH1A1TP53HPGDTSHR
SCHEMBL2381133 0.96 PDK2 (0.38) PDK2ALDH1A1TP53HPGDTSHR
SCHEMBL16062617 0.91 ALDH1A1 (0.41) PDK2ALDH1A1TP53HPGDTSHR
SCHEMBL5014621 0.87 HTR2A (0.43) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL5062909 0.87 HTR2A (0.43) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL24612847 0.87 PDK2 (0.42) PDK2ALDH1A1TP53HPGDTSHR
SCHEMBL20618625 0.87 PDK2 (0.42) PDK2ALDH1A1TP53HPGDTSHR
SCHEMBL20962826 0.87 PDK2 (0.42) PDK2ALDH1A1TP53HPGDTSHR
SCHEMBL20407304 0.87 PDK2 (0.48) PDK2ALDH1A1TP53HPGDTSHR
SCHEMBL22301641 0.85 PDK2 (0.39) PDK2MLNRNR1I2CHRM2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240251665-A1 TRANSVERSE CURRENT SUPPRESSING MATERIAL, CARBAZOLE COMPOUND, HOLE-INJECTION LAYER AND ORGANIC ELECTROLUMINESCENT ELEMENT TOSOH CORPORATION (JP) 2024-07-25 US disclosed
CN-110248930-B Organic electroluminescent compound and organic electroluminescent device comprising the same 罗门哈斯电子材料韩国有限公司 2023-07-04 CN disclosed
WO-2022211123-A1 TRANSVERSE CURRENT SUPPRESSING MATERIAL, CARBAZOLE COMPOUND, HOLE INJECTION LAYER, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2022-10-06 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-20240251665-A1 TRANSVERSE CURRENT SUPPRESSING MATERIAL, CARBAZOLE COMPOUND, HOLE-INJECTION LAYER AND ORGANIC ELECTROLUMINESCENT ELEMENT AXIN2, FZD7, SLC39A3 PDK2 2345/4885ALDH1A1 3265/4885TP53 4456/4885

“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.