SCHEMBL6695778

SCHEMBL6695778

Brc1ccccc1-c1ccc(Cn2cccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HDAC6 Q9UBN7 3/20 0.44
HDAC1 Q13547 1/20 0.44
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
CYP17A1 P05093 1/20 0.40
PARP1 P09874 2/20 0.38
CXCR2 P25025 1/20 0.37
MGLL Q99685 1/20 0.37
HDAC8 Q9BY41 2/20 0.35
MAOB P27338 2/20 0.35
CYP19A1 P11511 2/20 0.35
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CXCR3 P49682 1/20 0.34
PPARG P37231 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
SCHEMBL6225743 0.79 CA12 (0.56) MAPK1ALDH1A1HDAC6HDAC1CXCR2
SCHEMBL1249731 0.77 MAPK1 (0.58) MAPK1ALDH1A1CXCR2MAOBHPGD
SCHEMBL9765618 0.77 CYP11B1 (0.61) HDAC6HDAC1CYP11B1CYP11B2CYP17A1
SCHEMBL12489603 0.76 ALDH1A1 (0.83) MAPK1ALDH1A1MAOBHPGDTSHR
SCHEMBL6251334 0.75 ALDH1A1 (0.60) MAPK1ALDH1A1MAOBHPGDTSHR
SCHEMBL1247379 0.75 MAPK1 (0.60) MAPK1ALDH1A1MAOBHPGDTSHR
SCHEMBL6691960 0.74 HTR6 (0.59) MAPK1ALDH1A1HDAC6HDAC1MGLL
SCHEMBL1241108 0.74 CYP11B1 (0.57) ALDH1A1HDAC6HDAC1CYP11B1CYP11B2
SCHEMBL6696152 0.73 HDAC8 (0.44) MAPK1ALDH1A1HDAC6HDAC1CYP11B1
SCHEMBL12514860 0.73 ALDH1A1 (0.58) MAPK1ALDH1A1HPGDTSHRCXCR3

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-20040229874-A1 5HT7 Antagonists and inverse agonists PFIZER INC. 2004-11-18 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-20040229874-A1 5HT7 Antagonists and inverse agonists HTR7, HTR1A, HTR1B MAPK1 1987/4885ALDH1A1 1099/4885HDAC6 1841/4885

“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.