SCHEMBL15901872

SCHEMBL15901872

CC(=O)OCCCc1ccc2[nH]cc(C=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
GABRA1 P14867 5/20 0.39
GABRB2 P47870 5/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CYP2A6 P11509 1/20 0.39
IMPDH2 P12268 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
HTR1A P08908 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRA3 P34903 2/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL15902130 0.93 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19MTNR1AMTNR1B
SCHEMBL17871706 0.75 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19GABRA1GABRB2
SCHEMBL7837902 0.75 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19MTNR1AMTNR1B
SCHEMBL7823204 0.75 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19MTNR1AMTNR1B
SCHEMBL7229792 0.74 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C19GABRA1GABRB2
SCHEMBL20424739 0.74 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C19MTNR1AMTNR1B
SCHEMBL6015780 0.74 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C19MTNR1AMTNR1B
SCHEMBL13592398 0.74 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C19GABRA1GABRB2
SCHEMBL8746106 0.73 CYP2A6 (0.56) ALDH1A1CYP1A2CYP2C19GABRA1GABRB2
SCHEMBL17871978 0.73 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2C19KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012411-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-18 US disclosed
US-20220106321-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-04-07 US disclosed
US-11279704-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-03-22 US disclosed
CN-108440370-B Inhibitors of viral replication 鲁汶天主教大学 2021-07-30 CN disclosed
EP-3617192-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2020-03-04 EP disclosed
US-10550123-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2020-02-04 US disclosed
US-20190337954-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2019-11-07 US disclosed
EP-2760831-B1 VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2019-08-07 EP disclosed
US-20140213586-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-07-31 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 (6 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-20140213586-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885CYP1A2 4117/4885CYP2C19 3857/4885
US-11279704-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885CYP1A2 4117/4885CYP2C19 3857/4885
US-20190337954-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885CYP1A2 4117/4885CYP2C19 3857/4885
US-10550123-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885CYP1A2 4117/4885CYP2C19 3857/4885
US-20220106321-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885CYP1A2 4117/4885CYP2C19 3857/4885
US-12012411-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885CYP1A2 4117/4885CYP2C19 3857/4885

“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.