SCHEMBL636066

SCHEMBL636066

COc1ccc(F)cc1[Mg]Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.42
KDM4E B2RXH2 2/20 0.39
PTGS1 P23219 1/20 0.39
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
USP2 O75604 1/20 0.36
AMY1A P0DUB6 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TRPA1 O75762 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36

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
SCHEMBL5637248 0.84 NFE2L2 (0.38) NFE2L2KDM4EPTGS1TSHRSMN1; SMN2
SCHEMBL2496399 0.78 ACHE (0.56) TSHRSMN1; SMN2USP2CYP1A2CYP3A4
SCHEMBL3016274 0.78 CA12 (0.56) NFE2L2HTTUSP2CA12CA1
SCHEMBL4493751 0.76 TRPV4 (0.42) KDM4ESMN1; SMN2HTT
SCHEMBL2904522 0.74 SLC6A2 (0.44) NFE2L2KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL29375470 0.74 CA1 (0.55) KDM4EPTGS1TSHRHTTCA12
SCHEMBL162625 0.74 CA1 (0.55) KDM4EPTGS1TSHRHTTCA12
SCHEMBL166380 0.73 NFE2L2 (0.61) NFE2L2KDM4EPTGS1TSHRPDGFRB
SCHEMBL18472613 0.73 NFE2L2 (0.61) NFE2L2KDM4EPTGS1TSHRPDGFRB
SCHEMBL379916 0.72 ACHE (0.35) PTGS1CA9CA14CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273948-B2 Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS, INC. (US) 2007-09-25 US claimed
EP-1594824-A4 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS INC (US) 2007-04-04 EP claimed
EP-1594824-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF Atherogenics, Inc. (US) 2005-11-16 EP claimed
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof CRABTREE ACQUISITION CO, LLC 2004-10-14 US claimed
WO-2004062622-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS, INC. (US) 2004-07-29 WO claimed
US-20250340535-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-11-06 US disclosed
US-20250340534-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-11-06 US disclosed
US-12391671-B2 Allosteric EGFR inhibitors and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-08-19 US disclosed
CN-120004861-A Allosteric EGFR inhibitors and methods of use thereof 达纳-法伯癌症研究所股份有限公司 2025-05-16 CN disclosed
US-20220411404-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
EP-4058015-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2022-09-21 EP disclosed
CN-115066240-A Allosteric EGFR inhibitors and methods of use thereof 达纳-法伯癌症研究所股份有限公司 2022-09-16 CN disclosed
WO-2006014942-A1 ARYLOXYALKYLAMINE NK-1/SSRI INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-09 WO disclosed
US-20060020019-A1 Aryloxyalkylamine NK-1/SSRI inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-26 US disclosed
EP-1594824-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF Atherogenics, Inc. (US) 2005-11-16 EP disclosed
EP-1571140-A1 C-substituted cyclohexylmethylamine derivatives Grünenthal GmbH (DE) 2005-09-07 EP disclosed
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof CRABTREE ACQUISITION CO, LLC 2004-10-14 US disclosed
WO-2004062622-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS, INC. (US) 2004-07-29 WO disclosed
US-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2003-12-18 US disclosed
WO-1997005110-A1 PERHYDROISOINDOLE DERIVATIVES AS SUBSTANCE P AND NEUROKININE A ANTAGONISTS RHONE-POULENC RORER S.A. (FR) 1997-02-13 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 (7 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-20060020019-A1 Aryloxyalkylamine NK-1/SSRI inhibitors TPH1, SLC6A4, HTR1A NFE2L2 3270/4885KDM4E 1473/4885PTGS1 682/4885
US-20250340535-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 NFE2L2 2878/4885KDM4E 3185/4885PTGS1 3140/4885
US-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives CNR2, CNR1, HNMT NFE2L2 4109/4885KDM4E 431/4885PTGS1 976/4885
US-12391671-B2 Allosteric EGFR inhibitors and methods of use thereof EGFR, ERBB2, ERBB3 NFE2L2 2878/4885KDM4E 3185/4885PTGS1 3140/4885
US-20220411404-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 NFE2L2 2878/4885KDM4E 3185/4885PTGS1 3140/4885
US-20250340534-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 NFE2L2 2878/4885KDM4E 3185/4885PTGS1 3140/4885
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof NR3C2, MGLL, GCG NFE2L2 1093/4885KDM4E 3513/4885PTGS1 886/4885

“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.