SCHEMBL3744757

SCHEMBL3744757

CC1CN(Cc2ccc(CO)cc2)CC(C)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.50
CYP2A13 Q16696 1/20 0.50
AGTR1 P30556 1/20 0.50
AGTR2 P50052 1/20 0.50
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
POLB P06746 2/20 0.47
SIGMAR1 Q99720 3/20 0.44
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4148981 0.86 KDM4E (0.53) KDM4EHTTTDP1CYP2A13AGTR1
SCHEMBL4148973 0.86 KDM4E (0.53) KDM4EHTTTDP1CYP2A13AGTR1
SCHEMBL12383 0.84 ALDH1A1 (0.55) KDM4EHTTTDP1CYP2A13AGTR1
SCHEMBL12288152 0.83 SIGMAR1 (0.54) KDM4EHTTTDP1CYP2A13AGTR1
SCHEMBL578799 0.82 KDM4E (0.53) KDM4EHTTTDP1CYP2A13AGTR1
SCHEMBL578456 0.82 KDM4E (0.53) KDM4EHTTTDP1CYP2A13AGTR1
SCHEMBL9163392 0.82 KDM4E (0.53) KDM4EHTTTDP1CYP2A13AGTR1
SCHEMBL22711368 0.82 KDM4E (0.53) KDM4EHTTTDP1CYP2A13AGTR1
SCHEMBL5101706 0.82 KDM4E (0.53) KDM4EHTTTDP1CYP2A13AGTR1
SCHEMBL12156566 0.82 KDM4E (0.53) KDM4EHTTTDP1CYP2A13AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110938076-B Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-08-10 CN disclosed
CN-112898308-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-06-04 CN disclosed
CN-110759916-B Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-02-19 CN disclosed
CN-110938076-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2020-03-31 CN disclosed
CN-110759916-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2020-02-07 CN disclosed
US-7838522-B2 Benzothiazole formulations and use thereof ARES TRADING S.A. (CH) 2010-11-23 US disclosed
US-7838522-B2 Benzothiazole formulations and use thereof ARES TRADING S.A. (CH) 2010-11-23 US disclosed
US-7838522-B2 Benzothiazole formulations and use thereof ARES TRADING S.A. (CH) 2010-11-23 US disclosed
EP-1812072-B1 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING SA (CH) 2008-10-22 EP disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 US disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 US disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 US disclosed
CN-101102796-A Benzothiazole formulations and uses thereof ARES TRADING SA (CH) 2008-01-09 CN disclosed
EP-1812072-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF Ares Trading S.A. (CH) 2007-08-01 EP disclosed
WO-2006053882-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING S.A. (CH) 2006-05-26 WO 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-20080051397-A1 Benzothiazole Formulations and Use Thereof MGLL, MBOAT4, MBOAT1 KDM4E 1425/4885HTT 1049/4885TDP1 4128/4885

“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.