SCHEMBL4889465

SCHEMBL4889465

CC(C)(C=O)COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
AR P10275 2/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
TACR1 P25103 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.39
IDO1 P14902 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
MAOA P21397 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
SCHEMBL10346737 0.83 TDP1 (0.45) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL18526730 0.82 KDM4E (0.53) TSHRKDM4EPOLBARALDH1A1
SCHEMBL28173813 0.82 TSHR (0.47) TSHRKDM4EPOLBARALDH1A1
SCHEMBL23750706 0.81 TSHR (0.50) TSHRKDM4EPOLBALDH1A1MAPT
SCHEMBL6472344 0.81 TSHR (0.50) TSHRKDM4EPOLBALDH1A1MAPT
SCHEMBL9521935 0.81 TSHR (0.45) TSHRKDM4EPOLBARALDH1A1
SCHEMBL3799734 0.81 IDO1 (0.46) TSHRKDM4EPOLBALDH1A1MAPT
SCHEMBL13888734 0.80 KDM4E (0.46) TSHRKDM4EPOLBARALDH1A1
SCHEMBL10359456 0.79 AR (0.36) KDM4EPOLBARALDH1A1TACR1
SCHEMBL9521927 0.79 TSHR (0.47) TSHRKDM4EPOLBARALDH1A1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
WO-2021038586-A1 IMPROVED PROCESS FOR THE PREPARATION OF TEZACAFTOR INTERMEDIATE KEMINNTEK LABORATORIES (IN) 2021-03-04 WO claimed
US-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof GENZYME CORPORATION (US) 2026-05-12 US disclosed
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 US disclosed
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 US disclosed
EP-4583972-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF Sionna Therapeutics Inc. (US) 2025-07-16 EP disclosed
US-20250197422-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2025-06-19 US disclosed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP disclosed
WO-2024054840-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 WO disclosed
US-20230105381-A1 COMPOSITIONS AND METHODS FOR BIOORTHOGONAL SURFACE COATING RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-04-06 US disclosed
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-02 US disclosed
EP-0909821-B1 Engineering enzymes having altered substrate specificity BASF AG (DE) 2006-05-24 EP disclosed
EP-0911153-B1 Image forming method KONISHIROKU PHOTO IND (JP) 2003-12-10 EP disclosed
US-20020034776-A1 ALTERATION OF THE SUBSTRATE SPECIFICITY OF ENZYMES BASF AKTIENGESELLSCHAFT (DE) 2002-03-21 US disclosed
US-6174646-B1 IMAGEWISE HEATING OR EXPOSING IMAGE FORMING MATERIAL TO LASER WHEREIN IMAGE FORMING MATERIAL COMPRISES SUPPORT HAVING RADIATION SENSITIVE LAYER CONTAINING DYE, AN ACID GENERATING COMPOUND CAPABLE OF GENERATING ACID ON IRRADIATION KONICA CORPORATION (JP) 2001-01-16 US disclosed
EP-0911153-A1 Image forming method KONICA CORPORATION (JP) 1999-04-28 EP disclosed
EP-0909821-A2 Engineering enzymes having altered substrate specificity BASF AKTIENGESELLSCHAFT (DE) 1999-04-21 EP disclosed
US-4564476-A Aryl fatty acid leukotriene synthesis inhibitors MCNEILAB, INC. (US) 1986-01-14 US disclosed
US-4324921-A CATALYTIC ISOMERIZATION OF 5,5-DIMETHYL-1,3-DIOXANS HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-13 US disclosed
US-4247611-A ACETAL RESIN, ACID DONER HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-27 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-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof CFTR, ABCC3, ABCD3 TSHR 3205/4885KDM4E 3745/4885POLB 4117/4885
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 TSHR 3205/4885KDM4E 3745/4885POLB 4117/4885
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 TSHR 3071/4885KDM4E 3829/4885POLB 4290/4885
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TSHR 4359/4885KDM4E 4105/4885POLB 549/4885
US-20230105381-A1 COMPOSITIONS AND METHODS FOR BIOORTHOGONAL SURFACE COATING TYR, TH, TDO2 TSHR 1556/4885KDM4E 3627/4885POLB 570/4885
US-20250197422-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCB1, PKD1 TSHR 2935/4885KDM4E 4252/4885POLB 1375/4885

“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.