SCHEMBL1173553

SCHEMBL1173553

Cc1ccc(OB(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.50
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TEAD4 Q15561 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
RELA Q04206 1/20 0.39
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36

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
SCHEMBL659460 0.97 ACHE (0.52) ACHETDP1CYP3A4TSHRTEAD4
SCHEMBL10324557 0.87 HTT (0.47) ACHETDP1CYP3A4TSHRTEAD4
SCHEMBL26743221 0.86 ACHE (0.48) ACHETDP1CYP3A4TSHRTEAD4
SCHEMBL21658312 0.80 ACHE (0.52) ACHETDP1ALDH1A1POLBMEN1
SCHEMBL21658449 0.80 ACHE (0.52) ACHETDP1ALDH1A1POLBMEN1
SCHEMBL28057019 0.79 ACHE (0.46) ACHETDP1CYP3A4TSHRTEAD4
SCHEMBL350471 0.76 ACHE (0.48) ACHETDP1CYP3A4TSHRTEAD4
SCHEMBL9496710 0.76 ACHE (0.48) ACHETDP1CYP3A4TSHRTEAD4
SCHEMBL10632841 0.76 ACHE (0.48) ACHETDP1CYP3A4TSHRTEAD4
SCHEMBL1394343 0.74 CA1 (0.65) ACHETDP1CYP3A4ALDH1A1MAPT

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
US-8436173-B2 Boron compounds, their production processes, and functional electronic devices using same KYOTO UNIVERSITY (JP) 2013-05-07 US disclosed
US-20110046372-A1 NOVEL BORON COMPOUNDS, THEIR PRODUCTION PROCESSES, AND FUNCTIONAL ELECTRONIC DEVICES USING SAME Kyoto University and Nippon Shokubai Co., LTD. 2011-02-24 US disclosed
EP-2233490-A1 NOVEL BORON COMPOUND, METHOD FOR PRODUCING THE SAME, AND FUNCTIONAL ELECTRONIC DEVICE USING THE SAME Kyoto University (JP) 2010-09-29 EP 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-20110046372-A1 NOVEL BORON COMPOUNDS, THEIR PRODUCTION PROCESSES, AND FUNCTIONAL ELECTRONIC DEVICES USING SAME ETFB, SLC40A1, SLC19A1 ACHE 3718/4885TDP1 3997/4885CYP3A4 1691/4885

“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.