SCHEMBL23972178

SCHEMBL23972178

c1ccc(-c2ccc3c(ccc4sc5c(-c6ccccc6)nccc5c43)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ROCK1 Q13464 1/20 0.39
F9 P00740 2/20 0.38
HTR2B P41595 2/20 0.38
HTR5A P47898 2/20 0.38
TDO2 P48775 1/20 0.37
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
BCHE P06276 2/20 0.35
RIPK2 O43353 1/20 0.35
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35
TGFBR1 P36897 1/20 0.35
PIK3CA P42336 1/20 0.35
PI4KA P42356 1/20 0.35
PI4KB Q9UBF8 1/20 0.35

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
SCHEMBL17640479 0.78 LIMK1 (0.45) LIMK1PDE3BPDE3AROCK1HTR2B
SCHEMBL17640482 0.77 LIMK1 (0.47) LIMK1PDE3BPDE3AROCK1F9
SCHEMBL23972156 0.77 KDM4E (0.40) LIMK1PDE3BPDE3AHTR2BHTR5A
SCHEMBL22880101 0.75 L3MBTL1 (0.41) F9ESR1ESR2PIK3CAPI4KA
SCHEMBL13245724 0.75 LIMK1 (0.45) LIMK1PDE3BPDE3AROCK1HTR2B
SCHEMBL28191720 0.75 MAP4K4 (0.47) PDE3BPDE3AHTR2BHTR5ATDO2
SCHEMBL19080227 0.75 CYP1A1 (0.45) LIMK1F9ESR1ESR2
SCHEMBL16922468 0.73 LIMK1 (0.38) LIMK1PDE3BPDE3AROCK1HTR2B
SCHEMBL20149676 0.73 PDE3B (0.43) LIMK1PDE3BPDE3AHTR2BHTR5A
SCHEMBL11941207 0.73 HTR2B (0.44) LIMK1PDE3BPDE3AROCK1HTR2B

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-20210343950-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2021-11-04 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-20210343950-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES AOX1, OCIAD1, OCIAD2 LIMK1 3475/4885PDE3B 3066/4885PDE3A 3940/4885

“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.