SCHEMBL839253

SCHEMBL839253

COC(=O)c1cc(C)cc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.59
ATM Q13315 1/20 0.52
CNR2 P34972 2/20 0.51
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 3/20 0.48
XDH P47989 3/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
NFKB1 P19838 1/20 0.48
GFER P55789 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
FUT7 Q11130 1/20 0.48

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
SCHEMBL26334404 0.93 NOTUM (0.53) NOTUMATMCNR2CA12CA1
SCHEMBL184614 0.87 NOTUM (0.67) NOTUMCA12CA1CA2CA7
Methyl 3,5-Dibromobenzoate SCHEMBL2408987 0.87 NOTUM (0.67) NOTUMATMCNR2CA12CA1
SCHEMBL23714803 0.86 NOTUM (0.45) NOTUMATMCNR2CA12CA1
Methyl 3,5-Dimethylbenzoate SCHEMBL334346 0.85 CNR2 (0.66) ATMCNR2CA12CA1CA2
SCHEMBL70232 0.85 ATM (0.61) ATMCNR2CA12CA1CA2
SCHEMBL26334430 0.85 NOTUM (0.49) NOTUMATMCNR2CA12CA1
SCHEMBL2224889 0.84 NOTUM (0.59) NOTUMCA12CA1CA2CA7
SCHEMBL26334405 0.84 NOTUM (0.48) NOTUMATMCNR2CA12CA1
SCHEMBL26334428 0.84 NOTUM (0.51) NOTUMATMCNR2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO claimed
EP-4712967-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST Enveda Therapeutics, Inc. (US) 2026-03-25 EP disclosed
US-20250346585-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2025-11-13 US disclosed
US-20250263491-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2025-08-21 US disclosed
US-20250213685-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2025-07-03 US disclosed
US-20250177374-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same ABBVIE INC (US) 2025-06-05 US disclosed
US-12286422-B2 Methods and compositions of 4-substituted benzoylpiperazine-1-substituted carbonyls as β-catenin/B-cell lymphoma 9 inhibitors UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2025-04-29 US disclosed
WO-2024239000-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST ENVEDA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-08-08 US disclosed
WO-2005016876-A2 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT SCHERING CORPORATION (US) 2005-02-24 WO disclosed
EP-1503980-A2 SUBSTITUTED HYDROXYETHYLAMINES Elan Pharmaceuticals, Inc. (US) 2005-02-09 EP disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 EP disclosed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP disclosed
WO-2003072535-A2 SUBSTITUTED HYDROXYETHYLAMINES ELAN PHARMACEUTICALS, INC. (US) 2003-09-04 WO disclosed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US disclosed
US-6380430-B1 ANTICOAGULANTS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTERHAFTUNG (DE) 2002-04-30 US disclosed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 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-20250213685-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES EGFR, ERBB2, ERBB3 NOTUM 4335/4885ATM 2357/4885CNR2 2504/4885
US-12286422-B2 Methods and compositions of 4-substituted benzoylpiperazine-1-substituted carbonyls as β-catenin/B-cell lymphoma 9 inhibitors BCL9, BCL9L, BCL3 NOTUM 3707/4885ATM 3800/4885CNR2 3411/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP NOTUM 2281/4885ATM 2313/4885CNR2 619/4885
US-20250263491-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES EGFR, ERBB2, ERBB3 NOTUM 4335/4885ATM 2357/4885CNR2 2504/4885
US-20250346585-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS C5, C1S, C9 NOTUM 2444/4885ATM 2395/4885CNR2 446/4885
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR NOTUM 2845/4885ATM 3395/4885CNR2 119/4885
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 NOTUM 1802/4885ATM 3182/4885CNR2 287/4885
US-20250177374-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same BCL2, BAX, BCL9 NOTUM 4606/4885ATM 2966/4885CNR2 4275/4885

“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.