SCHEMBL21677902

SCHEMBL21677902

C/C(=C\CCCCCCCCOCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.46
TDP1 Q9NUW8 1/20 0.46
EPHX2 P34913 2/20 0.43
ALDH1A1 P00352 1/20 0.42
TEAD3 Q99594 1/20 0.42
TBXAS1 P24557 1/20 0.42
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
NAAA Q02083 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL23743657 1.00 L3MBTL1 (0.46) L3MBTL1TDP1EPHX2ALDH1A1TEAD3
SCHEMBL1122003 0.94 ALDH1A1 (0.45) L3MBTL1TDP1EPHX2ALDH1A1TEAD3
SCHEMBL1122000 0.94 ALDH1A1 (0.45) L3MBTL1TDP1EPHX2ALDH1A1TEAD3
SCHEMBL1122130 0.88 ALDH1A1 (0.47) ALDH1A1TEAD3CYP2C9TSHRHTT
SCHEMBL721275 0.88 ALDH1A1 (0.47) ALDH1A1TEAD3CYP2C9TSHRHTT
SCHEMBL24703878 0.88 L3MBTL1 (0.46) L3MBTL1TDP1EPHX2ALDH1A1TEAD3
SCHEMBL23743658 0.88 L3MBTL1 (0.46) L3MBTL1TDP1EPHX2ALDH1A1TEAD3
SCHEMBL21677905 0.85 NR1H4 (0.43) L3MBTL1TDP1EPHX2ALDH1A1TEAD3
SCHEMBL1572986 0.85 ALDH1A1 (0.45) ALDH1A1TEAD3NAAACYP2C9TSHR
SCHEMBL1572988 0.85 ALDH1A1 (0.45) ALDH1A1TEAD3NAAACYP2C9TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2023-10-26 US disclosed
US-20220143038-A1 LIPID PRODRUGS OF MYCOPHENOLIC ACID AND USES THEREOF PURETECH LYT, INC. (US) 2022-05-12 US disclosed
US-20220125933-A1 LIPID PRODRUGS OF JAK INHIBITORS AND USES THEREOF SEAPORT THERAPEUTICS, INC. 2022-04-28 US disclosed
US-20210300962-A1 LIPID PRODRUGS OF PREGNANE NEUROSTEROIDS AND USES THEREOF SEAPORT THERAPEUTICS, INC. 2021-09-30 US disclosed
US-20200390777-A1 LIPID PRODRUGS OF MYCOPHENOLIC ACID AND USES THEREOF SEAPORT THERAPEUTICS, INC. 2020-12-17 US disclosed
WO-2020028787-A1 LIPID PRODRUGS OF PREGNANE NEUROSTEROIDS AND USES THEREOF PureTech Health LLC (US) 2020-02-06 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 (5 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-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 L3MBTL1 3485/4885TDP1 1452/4885EPHX2 130/4885
US-20220125933-A1 LIPID PRODRUGS OF JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 L3MBTL1 1375/4885TDP1 1941/4885EPHX2 549/4885
US-20200390777-A1 LIPID PRODRUGS OF MYCOPHENOLIC ACID AND USES THEREOF MALT1, CYP2B6, LIPA L3MBTL1 2320/4885TDP1 1969/4885EPHX2 487/4885
US-20210300962-A1 LIPID PRODRUGS OF PREGNANE NEUROSTEROIDS AND USES THEREOF CYP21A2, CYP46A1, CYP17A1 L3MBTL1 3700/4885TDP1 1706/4885EPHX2 163/4885
US-20220143038-A1 LIPID PRODRUGS OF MYCOPHENOLIC ACID AND USES THEREOF MALT1, CYP2B6, LIPA L3MBTL1 2320/4885TDP1 1969/4885EPHX2 487/4885

“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.