SCHEMBL19630835

SCHEMBL19630835

B(c1ccccc1)c1cc(Bc2ccccc2)c(Bc2ccccc2)cc1Bc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ BBOX1 O75936 2/20 0.33
▸ EHMT2 Q96KQ7 2/20 0.33
▸ EHMT1 Q9H9B1 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL14523884 0.84 TDP1 (0.35) CA1CA2CA7CA9BBOX1
SCHEMBL339826 0.79 BBOX1 (0.41) CA1CA2CA7CA9BBOX1
Bromide SCHEMBL9081012 0.76 BBOX1 (0.39) CA1CA2CA7CA9BBOX1
Hydrochloric Acid SCHEMBL30702244 0.76 BBOX1 (0.39) CA1CA2CA7CA9BBOX1
SCHEMBL26417080 0.76 BBOX1 (0.39) CA1CA2CA7CA9BBOX1
Benzene SCHEMBL27586265 0.76 BBOX1 (0.39) CA1CA2CA7CA9BBOX1
SCHEMBL24553843 0.73 CA2 (0.43) CA1CA2CA7CA9MEN1
SCHEMBL26037492 0.73 CYP3A4 (0.43) MEN1LMNAKMT2ATDP1ALDH1A1
Water SCHEMBL27536225 0.71 CYP3A4 (0.41) MEN1LMNAKMT2ATDP1ALDH1A1
Water SCHEMBL27787994 0.71 TSHR (0.41) CA1CA2CA7CA9LMNA

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-9981243-B2 Metal-organic frameworks THE UNIVERSITY OF LIVERPOOL (GB) 2018-05-29 — — US disclosed
US-20170333869-A1 METAL-ORGANIC FRAMEWORKS UNIV LIVERPOOL (GB) 2017-11-23 — — 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-20170333869-A1 METAL-ORGANIC FRAMEWORKS FOSB, MLX, AFF4 CA1 1565/4885CA2 533/4885CA7 1332/4885

“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.

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