SCHEMBL4547016

SCHEMBL4547016

Brc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.70
ALDH1A1 P00352 2/20 0.62
MAPK1 P28482 1/20 0.62
AGTR1 P30556 1/20 0.61
CYP19A1 P11511 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ACHE P22303 1/20 0.49
NLRP3 Q96P20 1/20 0.47

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
SCHEMBL22042815 1.00 MCL1 (0.70) MCL1ALDH1A1MAPK1AGTR1CYP19A1
SCHEMBL11969753 1.00 MCL1 (0.70) MCL1ALDH1A1MAPK1AGTR1CYP19A1
SCHEMBL4347879 1.00 MCL1 (0.70) MCL1ALDH1A1MAPK1AGTR1CYP19A1
SCHEMBL15502084 1.00 MCL1 (0.70) MCL1ALDH1A1MAPK1AGTR1CYP19A1
SCHEMBL18482116 1.00 MCL1 (0.70) MCL1ALDH1A1MAPK1AGTR1CYP19A1
SCHEMBL19091436 1.00 MCL1 (0.70) MCL1ALDH1A1MAPK1AGTR1CYP19A1
SCHEMBL28136199 1.00 MCL1 (0.70) MCL1ALDH1A1MAPK1AGTR1CYP19A1
SCHEMBL4400318 0.98 MCL1 (0.68) MCL1ALDH1A1MAPK1AGTR1CYP19A1
SCHEMBL15887999 0.92 MCL1 (0.61) MCL1ALDH1A1MAPK1AGTR1CYP19A1
SCHEMBL13203474 0.92 MCL1 (0.61) MCL1ALDH1A1MAPK1AGTR1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3029033-B1 COMPOUND, LIGHT-EMITTING MATERIAL, AND ORGANIC LIGHT-EMITTING DEVICE UNIV KYUSHU NAT UNIV CORP (JP) 2021-06-16 EP disclosed
US-10439148-B2 Compound, light emitting material, and organic light emitting device NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2019-10-08 US disclosed
US-20160172600-A1 COMPOUND, LIGHT EMITTING MATERIAL, AND ORGANIC LIGHT EMITTING DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2016-06-16 US disclosed
EP-3029033-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND ORGANIC LIGHT-EMITTING DEVICE Kyushu University, National University Corporation (JP) 2016-06-08 EP disclosed
US-8178215-B2 Organic compound containing at least two carbazolyl-substituted phenyl structures; charge-transporting material and organic el element containing the compound PIONEER CORPORATION (JP) 2012-05-15 US disclosed
US-8178215-B2 Organic compound containing at least two carbazolyl-substituted phenyl structures; charge-transporting material and organic el element containing the compound PIONEER CORPORATION (JP) 2012-05-15 US disclosed
US-20090236973-A1 ORGANIC COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT PIONEER CORPORATION (JO) 2009-09-24 US disclosed
US-20090236973-A1 ORGANIC COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT PIONEER CORPORATION (JO) 2009-09-24 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 (3 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-10439148-B2 Compound, light emitting material, and organic light emitting device NR2E3, ARL1, RER1 MCL1 3479/4885ALDH1A1 752/4885MAPK1 3449/4885
US-20160172600-A1 COMPOUND, LIGHT EMITTING MATERIAL, AND ORGANIC LIGHT EMITTING DEVICE NR2E3, ARL1, RER1 MCL1 3479/4885ALDH1A1 752/4885MAPK1 3449/4885
US-20090236973-A1 ORGANIC COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT SLCO4C1, SLCO2A1, SLCO2B1 MCL1 4592/4885ALDH1A1 1465/4885MAPK1 2072/4885

“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.