SCHEMBL27019705

SCHEMBL27019705

CC(C)(C)Cc1ccc2sc3cc4ccccc4cc3c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN12 Q05209 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
ESR1 P03372 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GPR3 P46089 1/20 0.31
ROCK1 Q13464 1/20 0.31
SLC6A2 P23975 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL26181644 0.87 ESR1 (0.43) PTPN7DUSP3PTPN12PTPN22ESR1
SCHEMBL20696581 0.85 GPR3 (0.48) PTPN7DUSP3PTPN12PTPN22ESR1
SCHEMBL19274923 0.83 ESR1 (0.38) PTPN7DUSP3PTPN12PTPN22ESR1
SCHEMBL23776180 0.82 CYP1A2 (0.53) PTPN7DUSP3PTPN12PTPN22ALDH1A1
SCHEMBL27019750 0.81 NQO1 (0.35) PTPN7DUSP3PTPN12PTPN22ESR1
SCHEMBL18573477 0.79 ALDH1A1 (0.53) PTPN7DUSP3PTPN12PTPN22ESR1
SCHEMBL22879789 0.78 HTR2A (0.42) PTPN7DUSP3PTPN12PTPN22ALDH1A1
SCHEMBL22762120 0.78 ROCK1 (0.45) CYP1A2KDM4EROCK1
SCHEMBL25503415 0.77 GPR3 (0.42) PTPN7DUSP3PTPN12PTPN22ESR1
SCHEMBL26003558 0.77 ESR1 (0.33) ESR1

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-20240023428-A1 ORGANIC ELECTROLUMINESCENT MATERIAL, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-01-18 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-20240023428-A1 ORGANIC ELECTROLUMINESCENT MATERIAL, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE L1CAM, EPCAM, SELE PTPN7 1575/4885DUSP3 4053/4885PTPN12 1703/4885

“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.