SCHEMBL3738587

SCHEMBL3738587

COC(=O)c1ccc(OC(F)F)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
KDM4E B2RXH2 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 3/20 0.55
GAA P10253 1/20 0.55
NPC1 O15118 3/20 0.54
TSHR P16473 3/20 0.54
RAB9A P51151 2/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 2/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL22954276 0.94 MAPT (0.64) MAPTKDM4EHTTKMT2AL3MBTL1
SCHEMBL24079281 0.88 MAPT (0.49) MAPTKDM4EHTTKMT2AL3MBTL1
SCHEMBL29892240 0.85 KDM4E (0.59) MAPTKDM4EHTTKMT2AL3MBTL1
SCHEMBL7362278 0.85 KDM4E (0.59) MAPTKDM4EHTTKMT2AL3MBTL1
SCHEMBL6568018 0.85 MAPT (0.66) MAPTKDM4EKMT2ANPC1TSHR
SCHEMBL2564619 0.85 CA12 (0.71) KDM4EHTTPOLBGAANPC1
SCHEMBL28033776 0.85 KMT2A (0.56) MAPTKDM4EHTTKMT2AL3MBTL1
Veratric Acid Methyl Ester SCHEMBL2050732 0.84 MAPT (0.86) MAPTKDM4EKMT2AL3MBTL1POLB
Veratric Acid Methyl Ester SCHEMBL29573244 0.84 MAPT (0.86) MAPTKDM4EKMT2AL3MBTL1POLB
SCHEMBL31475537 0.84 HTT (0.50) MAPTKDM4EHTTKMT2AL3MBTL1

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-11021444-B2 Antiviral compounds Janssen Biopharma, Inc. (US) 2021-06-01 US disclosed
US-20190263754-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2019-08-29 US disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 US disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 US disclosed
WO-2015026792-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2015-02-26 WO disclosed
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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 (5 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-20190263754-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 MAPT 4665/4885KDM4E 3737/4885HTT 4526/4885
US-11021444-B2 Antiviral compounds MAVS, SARS1, ZC3HAV1 MAPT 4665/4885KDM4E 3737/4885HTT 4526/4885
US-20180065932-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 MAPT 4665/4885KDM4E 3737/4885HTT 4526/4885
US-20150065504-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 MAPT 4665/4885KDM4E 3737/4885HTT 4526/4885
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 MAPT 2958/4885KDM4E 1317/4885HTT 998/4885

“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.