SCHEMBL23908224

SCHEMBL23908224

COc1ccc(N(c2ccc(C=Cc3ccc(-c4ccc(C=Cc5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4)cc3)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.57
TRPA1 O75762 1/20 0.57
CYP1A2 P05177 3/20 0.55
CYP1A1 P04798 3/20 0.55
CYP1B1 Q16678 3/20 0.55
ESR1 P03372 2/20 0.55
PTGS2 P35354 2/20 0.55
TUBB4A P04350 2/20 0.55
TUBB P07437 2/20 0.55
TUBA3C P0DPH7 2/20 0.55
AHR P35869 2/20 0.55
TUBA1B P68363 2/20 0.55
TUBA4A P68366 2/20 0.55
TUBB4B P68371 2/20 0.55
TUBB3 Q13509 2/20 0.55
TUBB2A Q13885 2/20 0.55
TUBB8 Q3ZCM7 2/20 0.55
TUBA3E Q6PEY2 2/20 0.55
TUBA1A Q71U36 2/20 0.55
TUBA1C Q9BQE3 2/20 0.55

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
SCHEMBL23908220 1.00 RELA (0.57) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL23908223 1.00 RELA (0.57) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL27064345 0.95 TUBB1 (0.55) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL10046781 0.94 RELA (0.63) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL5491168 0.94 RELA (0.63) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL8944105 0.94 RELA (0.63) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL4403050 0.94 RELA (0.63) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL5490866 0.94 RELA (0.63) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL21738407 0.94 RELA (0.63) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL8944100 0.94 RELA (0.63) RELATRPA1CYP1A2CYP1A1CYP1B1

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-20210319957-A1 NOVEL COMPOUND, AND COMPOSITION FOR FORMING HOLE TRANSPORTING LAYER FOR PEROVSKITE SOLAR CELLS Tokyo Chemical Industry Co., Ltd. (JP) 2021-10-14 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-20210319957-A1 NOVEL COMPOUND, AND COMPOSITION FOR FORMING HOLE TRANSPORTING LAYER FOR PEROVSKITE SOLAR CELLS SLC43A1, SLC26A3, KCNT1 RELA 4040/4885TRPA1 126/4885CYP1A2 1672/4885

“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.