SCHEMBL1707894

SCHEMBL1707894

COc1cc(N)c(OC)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 6/20 0.52
GAA P10253 4/20 0.52
CYP3A4 P08684 3/20 0.52
TAAR1 Q96RJ0 1/20 0.50
PKM P14618 1/20 0.50
GFER P55789 1/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 1/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 1/20 0.45
S100B P04271 1/20 0.44

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
SCHEMBL1706988 0.90 GAA (0.58) POLBL3MBTL1ALDH1A1GAACYP3A4
SCHEMBL5951914 0.87 ALDH1A1 (0.48) POLBL3MBTL1ALDH1A1GAACYP3A4
SCHEMBL8080817 0.87 L3MBTL1 (0.56) POLBL3MBTL1ALDH1A1GAACYP3A4
SCHEMBL926329 0.87 L3MBTL1 (0.67) POLBL3MBTL1ALDH1A1GAACYP3A4
SCHEMBL10256995 0.85 CYP3A4 (0.55) POLBL3MBTL1ALDH1A1GAACYP3A4
SCHEMBL9520839 0.85 L3MBTL1 (0.60) POLBL3MBTL1ALDH1A1GAACYP3A4
SCHEMBL453847 0.85 L3MBTL1 (0.60) POLBL3MBTL1ALDH1A1GAACYP3A4
SCHEMBL6314009 0.85 POLB (0.59) POLBL3MBTL1ALDH1A1GAACYP3A4
SCHEMBL30723004 0.85 L3MBTL1 (0.60) POLBL3MBTL1ALDH1A1GAACYP3A4
SCHEMBL29540409 0.85 L3MBTL1 (0.60) POLBL3MBTL1ALDH1A1GAACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114965780-B Method for simultaneously measuring 30 mental active substances in environmental water body 中科检测技术服务(广州)股份有限公司 2024-09-24 CN claimed
EP-4276224-A1 FUNCTIONNALISED COPPER ELECTROCHEMICAL CATALYSTS FOR CONVERSION OF CO2 TO SMALL MOLECULES Centre national de la recherche scientifique (FR) 2023-11-15 EP disclosed
EP-2588144-B1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MED SYST INC (US) 2018-05-09 EP disclosed
US-9791399-B2 Derivatization of carbon SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2017-10-17 US disclosed
US-20140332412-A1 DERIVATIZATION OF CARBON SCHLUMBERGER TECHNOLOGY COPORATION (US) 2014-11-13 US disclosed
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2012-06-07 US disclosed
EP-2440534-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS Cellzome Limited (GB) 2012-04-18 EP disclosed
WO-2010142766-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2010-12-16 WO disclosed
US-5731340-A DIETETICS; ANTIDIABETIC AGENTS SANOFI (FR) 1998-03-24 US disclosed
CN-1131144-A Glycinamide derivatives, processes for their preparation and medicines containing them SANOFI SA (FR) 1996-09-18 CN disclosed
EP-0697403-A1 Derivatives of glycinamides as cholecystokinin receptor agonists SANOFI (FR) 1996-02-21 EP disclosed
US-4163059-A Pesticidally active 4,5-dichloro-3-substituted-phenylimino-1,2-dithiolenes BAYER AKTIENGESELLSCHAFT (DE) 1979-07-31 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 (2 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-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS ZAP70, LCK, DPY30 POLB 741/4885L3MBTL1 2852/4885ALDH1A1 3057/4885
US-20140332412-A1 DERIVATIZATION OF CARBON FTH1, CBR1, SDHB POLB 4228/4885L3MBTL1 4486/4885ALDH1A1 162/4885

“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.