SCHEMBL16298546

SCHEMBL16298546

Cc1ccc(B2OB3OB(O2)c2ccc(cc2N)B2OB(c4ccc(C)c(N)c4)OB(O2)c2ccc(cc2N)B2OB(c4ccc(C)c(N)c4)OB(O2)c2ccc(cc2N)B2OB(c4ccc(C)c(N)c4)OB(O2)c2ccc(cc2N)B2OB(c4ccc(C)c(N)c4)OB(O2)c2ccc(cc2N)B2OB(c4ccc(C)c(N)c4)OB(O2)c2ccc3cc2N)cc1N

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CYP3A4 P08684 3/20 0.38
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL16298557 0.91 ALDH1A1 (0.48) TDP1ALDH1A1CASP1CYP3A4MAPT
SCHEMBL10002180 0.78 — —
SCHEMBL3690091 0.73 LPL (0.46) TDP1ALDH1A1CASP1CYP3A4
SCHEMBL7860034 0.72 ALDH1A1 (0.39) TDP1ALDH1A1CYP3A4TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL31547133 0.71 LPL (0.44) TDP1ALDH1A1CASP1CYP3A4
SCHEMBL16298593 0.71 TDP1 (0.41) TDP1ALDH1A1CASP1CYP3A4MAPT
SCHEMBL10002183 0.68 POLB (0.32) —
SCHEMBL7858597 0.62 TDP1 (0.41) TDP1ALDH1A1CYP3A4KDM4ESMN1; SMN2
SCHEMBL7859991 0.62 TDP1 (0.41) TDP1ALDH1A1CYP3A4KDM4ESMN1; SMN2
SCHEMBL3780980 0.61 CYP3A4 (0.45) TDP1ALDH1A1CASP1CYP3A4MAPT

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-20120016146-A1 POROUS CRYSTAL COMPRISING AMMONIA BORANE AND A PRODUCTION METHOD THEREFOR INSILICOTECH CO., LTD (KR) 2012-01-19 — — 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-20120016146-A1 POROUS CRYSTAL COMPRISING AMMONIA BORANE AND A PRODUCTION METHOD THEREFOR FAR1, GOT1, WEE1 TDP1 3778/4885ALDH1A1 2659/4885CASP1 1784/4885

“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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