SCHEMBL21102403

SCHEMBL21102403

CC(C)(C)c1ccc(-c2ccccc2-c2ccc(Br)cc2C(O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
NR2F2 P24468 1/20 0.34

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
SCHEMBL13709005 0.92 GPR84 (0.36) GPR84ALDH1A1NPC1RAB9APLA2G1B
SCHEMBL21102398 0.89 PTPRC (0.39) ALDH1A1AKR1C3AKR1C2PTPRCCYP3A4
SCHEMBL13708964 0.88 ALDH1A1 (0.41) GPR84ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21102273 0.85 PDK2 (0.35) RAB9APTPRCCYP3A4CYP2D6
SCHEMBL13708983 0.85 THRB (0.37) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL26802527 0.83 MEN1 (0.39) GPR84ALDH1A1NPC1RAB9APLA2G1B
SCHEMBL13383898 0.83 MAPK1 (0.41) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL18723364 0.81 MEN1 (0.38) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL21102410 0.79 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AL3MBTL1MEN1
SCHEMBL21102261 0.79 ALDH1A1 (0.42) ALDH1A1AKR1C3AKR1C2PTPRCKDM4E

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-20200308129-A1 SUBSTITUTED AROMATIC AMINES FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-01 US disclosed
WO-2019115577-A1 SUBSTITUTED AROMATIC AMINES FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-06-20 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-20200308129-A1 SUBSTITUTED AROMATIC AMINES FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES DDC, CHRM5, AFF2 GPR84 1199/4885ALDH1A1 1738/4885NPC1 4137/4885

“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.