SCHEMBL4106752

SCHEMBL4106752

[c]1cc[c]c2nc3ccccc3cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
GLA P06280 2/20 0.48
MAPT P10636 2/20 0.48
ACHE P22303 1/20 0.48
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 5/20 0.37
GAA P10253 3/20 0.37
HTR3A P46098 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
STAT3 P40763 1/20 0.37
NQO2 P16083 1/20 0.37
KMT2A Q03164 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
PTBP1 P26599 1/20 0.36
RCE1 Q9Y256 1/20 0.36
PDE10A Q9Y233 1/20 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
SCHEMBL25265 0.78 ALDH1A1 (0.56) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL26373 0.78 ALDH1A1 (0.56) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL8504459 0.74 ALDH1A1 (0.46) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL102590 0.73 CYP2A6 (0.39) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL510351 0.69 ALDH1A1 (0.42) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL510183 0.69 ALDH1A1 (0.42) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL756551 0.68 CYP2A6 (0.32)
Acridine SCHEMBL8339 0.67 ALDH1A1 (1.00) ALDH1A1HPGDGLAMAPTACHE
Acridine SCHEMBL1772714 0.67 ALDH1A1 (1.00) ALDH1A1HPGDGLAMAPTACHE
Acridine SCHEMBL29352289 0.67 ALDH1A1 (1.00) ALDH1A1HPGDGLAMAPTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472381-B2 Sialic acid derivatives REINHARD BROSSMER (DE) 2019-11-12 US disclosed
CN-109627215-A A kind of fluorescent material, the preparation method of fluorescent material, display panel and display device 京东方科技集团股份有限公司 2019-04-16 CN disclosed
WO-2018172129-A1 SIALIC ACID DERIVATIVES WITH C-C TRIPLE BOND, AND PREPARATION THEREOF PRESCHER HORST (CH) 2018-09-27 WO disclosed
US-20160362436-A1 SIALIC ACID DERIVATIVES BROSSMER REINHARD (DE) 2016-12-15 US disclosed
EP-2797946-B1 SIALIC ACID DIMERS BROSSMER REINHARD (DE) 2016-05-04 EP disclosed
US-9260467-B2 Sialic acid dimers BROSSMER REINHARD (DE) 2016-02-16 US disclosed
EP-2910561-A1 Sialic acid derivatives Brossmer, Reinhard (DE) 2015-08-26 EP disclosed
US-20150005245-A1 Sialic Acid Dimers BROSSMER REINHARD (DE) 2015-01-01 US disclosed
EP-2610263-A1 Sialic acid dimers Brossmer, Reinhard (DE) 2013-07-03 EP disclosed
US-20090018264-A1 RESIN COMPOSITION CANON KABUSHIKI KAISHA (JP) 2009-01-15 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 (3 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-10472381-B2 Sialic acid derivatives NEU1, NEU2, NEU3 ALDH1A1 127/4885HPGD 717/4885GLA 62/4885
US-20160362436-A1 SIALIC ACID DERIVATIVES NEU1, NEU2, NEU3 ALDH1A1 127/4885HPGD 713/4885GLA 62/4885
US-20150005245-A1 Sialic Acid Dimers SIGLEC9, SIGLEC7, NEU2 ALDH1A1 284/4885HPGD 918/4885GLA 203/4885

“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.