SCHEMBL14719616

SCHEMBL14719616

c1ccc(B(Oc2cccc3ccccc23)Oc2cccc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KCNA3 P22001 1/20 0.44
HSD17B10 Q99714 3/20 0.43
PGR P06401 1/20 0.43
GAA P10253 1/20 0.43
PTGS1 P23219 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR1B P28222 5/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FABP7 O15540 3/20 0.40
FABP3 P05413 3/20 0.40
FABP5 Q01469 3/20 0.40
HTR1D P28221 1/20 0.40
MAPT P10636 2/20 0.39

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
SCHEMBL556402 0.87 KCNA3 (0.40) ALDH1A1KDM4EHPGDTDP1KCNA3
SCHEMBL3405912 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTDP1KCNA3
SCHEMBL8624869 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTDP1KCNA3
SCHEMBL3840461 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDTDP1KCNA3
SCHEMBL4289478 0.75 HTR1B (0.59) ALDH1A1KDM4EHPGDTDP1KCNA3
SCHEMBL1208635 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDTDP1KCNA3
SCHEMBL29405949 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDTDP1KCNA3
SCHEMBL17333246 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDTDP1KCNA3
SCHEMBL17333244 0.75 KMT2A (0.53) ALDH1A1KDM4EHPGDTDP1KCNA3
SCHEMBL4918884 0.73 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDTDP1KCNA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110376320-B Method for full-automatic series solid-phase extraction of brassinosteroids in plants 中国科学院大连化学物理研究所 2021-04-27 CN claimed
CN-110376320-B Method for full-automatic series solid-phase extraction of brassinosteroids in plants 中国科学院大连化学物理研究所 2021-04-27 CN disclosed
US-8829502-B2 Condensed polycyclic compound and organic light emitting element including the same CANON KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-20130048965-A1 CONDENSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-28 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-20130048965-A1 CONDENSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CCNE2, NFE2L2, CRY2 ALDH1A1 1007/4885KDM4E 3576/4885HPGD 2902/4885

“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.