SCHEMBL1356582

SCHEMBL1356582

OB(Cc1ccccc1)OBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TRPA1 O75762 1/20 0.39
ARG2 P78540 1/20 0.38
LIPE Q05469 1/20 0.37
CALM1 P0DP23 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
IDO1 P14902 3/20 0.34
THRB P10828 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
AKR1B1 P15121 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HIF1A Q16665 1/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL9224156 0.80 CA1 (0.61) CA1CA2ALDH1A1TDP1IDO1
SCHEMBL3900187 0.77 CA1 (0.41) CA1CA2TSHRALDH1A1ARG2
SCHEMBL3887273 0.76 TSHR (0.46) CA1CA2TSHRALDH1A1ARG2
SCHEMBL23535576 0.74 LIPE (0.39) CA1CA2TSHRALDH1A1ARG2
SCHEMBL2836728 0.72 CA1 (0.38) CA1CA2TSHRALDH1A1ARG2
SCHEMBL8392410 0.72 ALDH1A1 (0.42) CA1CA2TSHRALDH1A1ARG2
SCHEMBL219668 0.72 CA1 (0.56) CA1CA2TSHRALDH1A1TRPA1
Pyridine SCHEMBL29132370 0.70 CYP11B1 (0.36) CA1CA2TSHRALDH1A1LIPE
SCHEMBL3796769 0.70 CTRB1 (0.47) CA1CA2TSHRALDH1A1THRB
SCHEMBL670441 0.69 LIPE (0.35) CA1CA2TSHRALDH1A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111592464-A Organic compound containing spirobifluorene structure and application thereof 常州强力电子新材料股份有限公司 2020-08-28 CN claimed
CN-111592464-A Organic compound containing spirobifluorene structure and application thereof 常州强力电子新材料股份有限公司 2020-08-28 CN disclosed
US-20110282090-A1 PROCESS FOR PREPARING BORONIC ACIDS AND ESTERS IN THE PRESENCE OF MAGNESIUM METAL UNIVERSITE DE NICE SOPHIA ANTIPOLIS (FR) 2011-11-17 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-20110282090-A1 PROCESS FOR PREPARING BORONIC ACIDS AND ESTERS IN THE PRESENCE OF MAGNESIUM METAL ME1, MEN1, CYP2B6 CA1 900/4885CA2 268/4885TSHR 1734/4885

“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.