SCHEMBL24340435

SCHEMBL24340435

CCCCCCCCCCCCCCCCCCOC[C@H](CO)Nc1ccc(C#N)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
USP2 O75604 1/20 0.38
PLA2G2C Q5R387 5/20 0.37
MGLL Q99685 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
FYN P06241 1/20 0.34
PLA2G10 O15496 2/20 0.33
PLA2G1B P04054 2/20 0.33
PLA2G2A P14555 2/20 0.33
PLA2G5 P39877 2/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
IDH1 O75874 1/20 0.33
VNN1 O95497 1/20 0.33

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
SCHEMBL24340436 1.00 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL29020978 0.86 LPAR5 (0.45) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL29020973 0.86 LPAR5 (0.45) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL16627292 0.79 MEN1 (0.43) IRAK4FYNHCAR3HCAR2IDH1
SCHEMBL24305076 0.77 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL25077669 0.77 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL30464602 0.76 USP2 (0.39) ALDH1A1USP2PLA2G2C
SCHEMBL24340358 0.76 USP2 (0.39) ALDH1A1USP2PLA2G2C
SCHEMBL29020863 0.76 USP2 (0.39) ALDH1A1USP2PLA2G2C
SCHEMBL24304814 0.76 KDM4E (0.47) ALDH1A1HPGDKDM4EHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230248753-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-08-10 US disclosed
CN-116322759-A Phospholipid compounds and uses thereof 吉利德科学公司 2023-06-23 CN disclosed
US-20220143052-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2022-05-12 US disclosed
WO-2022081973-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2022-04-21 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 (2 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-20220143052-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 ALDH1A1 3784/4885HPGD 1467/4885KDM4E 3951/4885
US-20230248753-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 ALDH1A1 3784/4885HPGD 1467/4885KDM4E 3951/4885

“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.