SCHEMBL4376044

SCHEMBL4376044

COc1ccc2c(c1)c(C=O)cn2C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
AKR1C3 P42330 2/20 0.46
HTR6 P50406 1/20 0.43
BCHE P06276 6/20 0.41
ERN1 O75460 1/20 0.41
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
AKR1C2 P52895 1/20 0.41
ACHE P22303 5/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL29443995 1.00 ALDH1A1 (0.48) ALDH1A1AKR1C3HTR6BCHEERN1
SCHEMBL15902037 0.90 ALDH1A1 (0.58) ALDH1A1AKR1C3HTR6ERN1TRIM24
SCHEMBL29443970 0.90 ALDH1A1 (0.58) ALDH1A1AKR1C3HTR6ERN1TRIM24
SCHEMBL30844606 0.87 HTR6 (0.41) ALDH1A1AKR1C3HTR6AKR1C2ACHE
SCHEMBL24855201 0.87 HTR6 (0.41) ALDH1A1AKR1C3HTR6AKR1C2ACHE
SCHEMBL29443980 0.86 HTR6 (0.46) ALDH1A1HTR6BCHEACHECYP1A2
SCHEMBL15902182 0.86 HTR6 (0.46) ALDH1A1HTR6BCHEACHECYP1A2
SCHEMBL29954772 0.84 AKR1C3 (0.46) ALDH1A1AKR1C3HTR6AKR1C2PDE10A
SCHEMBL1778702 0.84 AKR1C3 (0.46) ALDH1A1AKR1C3HTR6AKR1C2PDE10A
SCHEMBL7715925 0.84 HTR6 (0.44) ALDH1A1HTR6ERN1ACHEMEN1

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
US-12012411-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-18 US disclosed
CN-113480537-B Quinazolinone [2,3-a ] carboline derivative and preparation method and application thereof 广西师范大学 2022-05-10 CN 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-113480537-A Quinazolinone [2,3-a ] carboline derivative and preparation method and application thereof 广西师范大学 2021-10-08 CN 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-20170015645-A1 SUBSTITUTED PYRAN DERIVATIVES UNIV WAYNE STATE (US) 2017-01-19 US disclosed
US-9458124-B2 Substituted pyran derivatives WAYNE STATE UNIVERSITY (US) 2016-10-04 US disclosed
US-20140309427-A1 Substituted Pyran Derivatives NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-16 US disclosed
US-20140213586-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-07-31 US disclosed
WO-2009034457-A1 ORGANIC COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES, USES AND METHODS FOR THE PREPARATION THEREOF ALMA MATER STUDIORUM - UNIVERSITA' DI BOLOGNA (IT) 2009-03-19 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 (8 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-20170015645-A1 SUBSTITUTED PYRAN DERIVATIVES SLC18A2, SLC6A4, SLC6A3 ALDH1A1 772/4885AKR1C3 881/4885HTR6 14/4885
US-20140213586-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885AKR1C3 3125/4885HTR6 4427/4885
US-20140309427-A1 Substituted Pyran Derivatives SLC18A2, SLC6A4, SLC6A3 ALDH1A1 772/4885AKR1C3 881/4885HTR6 14/4885
US-11279704-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885AKR1C3 3125/4885HTR6 4427/4885
US-20190337954-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885AKR1C3 3125/4885HTR6 4427/4885
US-10550123-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885AKR1C3 3125/4885HTR6 4427/4885
US-20220106321-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885AKR1C3 3125/4885HTR6 4427/4885
US-12012411-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885AKR1C3 3125/4885HTR6 4427/4885

“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.