SCHEMBL7863823

SCHEMBL7863823

CC(C)OCCOCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
NAAA Q02083 1/20 0.46
NR4A2 P43354 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
ALOX12 P18054 1/20 0.43
NFKB1 P19838 1/20 0.43
APEX1 P27695 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42

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
SCHEMBL14499022 0.89 TSHR (0.50) TSHRADRB2ADRB1ADRB3NAAA
SCHEMBL14443383 0.86 ADRB2 (0.51) ADRB2ADRB1ADRB3NAAANR4A2
SCHEMBL26692829 0.85 TSHR (0.50) TSHRNAAAKMT2ATDP1L3MBTL1
SCHEMBL17697791 0.85 TSHR (0.50) TSHRADRB2ADRB1ADRB3NAAA
SCHEMBL21647504 0.83 TSHR (0.48) TSHRADRB2ADRB1ADRB3NAAA
SCHEMBL22890912 0.83 TSHR (0.48) TSHRNAAAKMT2ATDP1L3MBTL1
SCHEMBL1594904 0.83 TSHR (0.48) TSHRADRB2ADRB1ADRB3NAAA
SCHEMBL38655715 0.83 TSHR (0.48) TSHRADRB2ADRB1ADRB3NAAA
SCHEMBL22890959 0.83 NAAA (0.40) TSHRADRB2ADRB1ADRB3NAAA
SCHEMBL1991359 0.82 TSHR (0.78) TSHRNAAATDP1L3MBTL1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113568287-B Photoresist cleaning agent for flexible panel and production process thereof 江阴润玛电子材料股份有限公司 2023-07-04 CN claimed
CN-113568287-A Photoresist cleaning agent for flexible panel and production process thereof 江阴润玛电子材料股份有限公司 2021-10-29 CN claimed
WO-2024119099-A1 GALLIUM-SALOPHEN ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2024-06-06 WO disclosed
EP-4272825-A2 MTORC MODULATORS AND USES THEREOF Aeovian Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed
US-20230227476-A1 GALLIUM-SALOPHEN ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-07-20 US disclosed
US-20230227476-A1 GALLIUM-SALOPHEN ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-07-20 US disclosed
US-11702429-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-11702429-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
CN-113568287-B Photoresist cleaning agent for flexible panel and production process thereof 江阴润玛电子材料股份有限公司 2023-07-04 CN disclosed
CN-113568287-B Photoresist cleaning agent for flexible panel and production process thereof 江阴润玛电子材料股份有限公司 2023-07-04 CN disclosed
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-02 US disclosed
CN-113568287-A Photoresist cleaning agent for flexible panel and production process thereof 江阴润玛电子材料股份有限公司 2021-10-29 CN disclosed
CN-113568287-A Photoresist cleaning agent for flexible panel and production process thereof 江阴润玛电子材料股份有限公司 2021-10-29 CN disclosed
US-11021492-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-20210032221-A1 1,2,3-TRIAZOLE INHIBITORS OF P97 AAA ATPASE ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-02-04 US disclosed
US-20210008041-A1 MTORC MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2021-01-14 US disclosed
US-20210002300-A1 MTORC MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2021-01-07 US disclosed
WO-2020154447-A1 MTORC MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2020-07-30 WO disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-11702429-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR TSHR 3270/4885ADRB2 4712/4885ADRB1 4673/4885
US-20210008041-A1 MTORC MODULATORS AND USES THEREOF MTOR, RICTOR, RPTOR TSHR 3270/4885ADRB2 4712/4885ADRB1 4673/4885
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 TSHR 4605/4885ADRB2 4249/4885ADRB1 3892/4885
US-20210002300-A1 MTORC MODULATORS AND USES THEREOF MTOR, RICTOR, RPTOR TSHR 3270/4885ADRB2 4712/4885ADRB1 4673/4885
US-20210032221-A1 1,2,3-TRIAZOLE INHIBITORS OF P97 AAA ATPASE ACTIVITY ATAD3B, ATAD3A, PSMG3 TSHR 4782/4885ADRB2 3857/4885ADRB1 2806/4885
US-20230227476-A1 GALLIUM-SALOPHEN ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF SLC30A5, SALL4, GLB1 TSHR 2817/4885ADRB2 2620/4885ADRB1 3113/4885
US-11021492-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR TSHR 3270/4885ADRB2 4712/4885ADRB1 4673/4885

“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.