SCHEMBL556402

SCHEMBL556402

c1ccc(B(Oc2ccc3ccccc3c2)Oc2cccc3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.40
GAA P10253 2/20 0.38
RCE1 Q9Y256 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
HPGD P15428 1/20 0.36
ALOX5 P09917 1/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 2/20 0.36
PGR P06401 1/20 0.36
PTGS1 P23219 1/20 0.36
HTR1B P28222 2/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 3/20 0.35

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
SCHEMBL14719616 0.87 ALDH1A1 (0.44) KCNA3GAACYP1A2ALDH1A1KDM4E
SCHEMBL30731587 0.73 GAA (0.61) KCNA3GAARCE1CYP1A2CYP2A6
SCHEMBL443820 0.73 GAA (0.61) KCNA3GAARCE1CYP1A2CYP2A6
SCHEMBL2515691 0.72 CYP11B2 (0.47) PGR
SCHEMBL8764848 0.72 HSD17B10 (0.51) GAAALDH1A1KDM4ETDP1HPGD
SCHEMBL3405912 0.70 ALDH1A1 (0.46) KCNA3GAACYP1A2ALDH1A1KDM4E
SCHEMBL8624869 0.70 ALDH1A1 (0.43) KCNA3GAACYP1A2ALDH1A1KDM4E
SCHEMBL20898321 0.69 KMT2A (0.50) GAAALDH1A1KDM4ETDP1HPGD
SCHEMBL3840461 0.68 ALDH1A1 (0.48) KCNA3GAACYP1A2CYP2A6ALDH1A1
SCHEMBL28440233 0.68 GAA (0.55) KCNA3GAARCE1CYP1A2CYP2A6

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-8586211-B2 Asymmetrical aryl amine derivative for organic electroluminescence devices, method for preparing same, organic thin film for organic electroluminescence devices and organic electroluminescence device using same DONGWOO FINE-CHEM CO. LTD. (KR) 2013-11-19 US disclosed
US-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same DONGWOO FINE-CHEM CO. LTD. (KR) 2012-02-09 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-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same AOC2, ALKBH2, ALKBH1 KCNA3 582/4885GAA 4786/4885RCE1 4049/4885

“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.