SCHEMBL29934895

SCHEMBL29934895

Brc1ccccc1-c1cccc(-c2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.70
ALDH1A1 P00352 3/20 0.70
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAOA P21397 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KMO O15229 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42

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
SCHEMBL19107130 1.00 MAPK1 (0.70) MAPK1ALDH1A1CRHBPCRHR2PTGER1
SCHEMBL16617019 1.00 MAPK1 (0.70) MAPK1ALDH1A1CRHBPCRHR2PTGER1
SCHEMBL30046055 1.00 MAPK1 (0.70) MAPK1ALDH1A1CRHBPCRHR2PTGER1
SCHEMBL17709510 0.93 ALDH1A1 (0.71) MAPK1ALDH1A1CRHBPCRHR2PTGER1
SCHEMBL21202807 0.88 ALDH1A1 (0.73) MAPK1ALDH1A1CRHBPCRHR2MAPT
SCHEMBL21037629 0.88 ALDH1A1 (0.73) MAPK1ALDH1A1CRHBPCRHR2MAPT
SCHEMBL30360368 0.88 ALDH1A1 (0.73) MAPK1ALDH1A1CRHBPCRHR2MAPT
SCHEMBL30292627 0.87 ALDH1A1 (0.52) MAPK1ALDH1A1CRHBPCRHR2PTGER1
SCHEMBL23533675 0.86 MAPK1 (0.52) MAPK1ALDH1A1MEN1KMT2AESR1
SCHEMBL17503061 0.85 ALDH1A1 (0.50) MAPK1ALDH1A1CRHBPCRHR2PTGER1

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-12167689-B2 Heterocyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2024-12-10 US disclosed
US-20220336757-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2022-10-20 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 (2 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-12167689-B2 Heterocyclic compound and organic light emitting device comprising the same C1S, ARRB1, CRY1 MAPK1 916/4885ALDH1A1 321/4885CRHBP 1923/4885
US-20220336757-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME C1S, CNR1, ARRB1 MAPK1 979/4885ALDH1A1 306/4885CRHBP 2179/4885

“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.