SCHEMBL4816628

SCHEMBL4816628

OCc1cc(-c2ccc(Br)cc2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
ADRB2 P07550 1/20 0.44
KLF10 Q13118 1/20 0.44
HSD17B1 P14061 1/20 0.43
PKM P14618 2/20 0.43
BACE1 P56817 1/20 0.42
CYP1A2 P05177 2/20 0.41
ALOX15 P16050 1/20 0.40
APP P05067 1/20 0.39
ALOX5 P09917 2/20 0.39
TSHR P16473 1/20 0.39
GFER P55789 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL9418406 0.87 GABRA1 (0.56) GABRA1GABRB2ADRB2KLF10HSD17B1
SCHEMBL29870381 0.83 ALOX15 (0.52) ADRB2KLF10PKMCYP1A2ALOX15
SCHEMBL25335 0.83 ALOX15 (0.52) ADRB2KLF10PKMCYP1A2ALOX15
SCHEMBL9716759 0.82 BACE1 (0.61) GABRA1GABRB2ADRB2KLF10HSD17B1
SCHEMBL11453783 0.81 ALOX15 (0.50) ADRB2KLF10PKMCYP1A2ALOX15
SCHEMBL28707120 0.78 HSPA5 (0.55) GABRA1GABRB2HSD17B1PKMBACE1
SCHEMBL19117133 0.76 HSD17B1 (0.52) GABRA1GABRB2KLF10HSD17B1PKM
SCHEMBL13028524 0.75 ALOX12 (0.55) TSHRGFERESR1
SCHEMBL14525317 0.74 S1PR1 (0.41) HSD17B1CYP1A2TSHRALDH1A1MAPK1
SCHEMBL3339161 0.74 ALOX15 (0.65) HSD17B1CYP1A2ALOX15APPALOX5

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-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 GABRA1 2708/4885GABRB2 2561/4885ADRB2 4185/4885

“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.