SCHEMBL16298557

SCHEMBL16298557

Cc1ccc(B2OB(c3ccc(C)c(N)c3)OB(c3ccc(C)c(N)c3)O2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.48
▸ TDP1 Q9NUW8 5/20 0.48
▸ CASP1 P29466 2/20 0.48
▸ CYP3A4 P08684 7/20 0.45
▸ MAPT P10636 2/20 0.41
▸ TSHR P16473 5/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.33
▸ CD44 P16070 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 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
SCHEMBL16298546 0.91 TDP1 (0.41) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL3690091 0.80 LPL (0.46) ALDH1A1TDP1CASP1CYP3A4
SCHEMBL7860034 0.79 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL31547133 0.79 LPL (0.44) ALDH1A1TDP1CASP1CYP3A4
SCHEMBL10002183 0.75 POLB (0.32) POLB
SCHEMBL16298593 0.67 TDP1 (0.41) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL16330426 0.66 ACHE (0.47) ALDH1A1TDP1TSHRLMNA
SCHEMBL5956120 0.66 CASP1 (1.00) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL3785245 0.66 MEN1 (0.47) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL3783102 0.66 ACHE (0.47) ALDH1A1TDP1TSHRLMNA

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 ALDH1A1 2659/4885TDP1 3778/4885CASP1 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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