SCHEMBL21056205

SCHEMBL21056205

CC(=O)CCC(=O)OC(C(=O)O)C(OC(=O)CCC(C)=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
LMNA P02545 3/20 0.44
SLC15A2 Q16348 1/20 0.44
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.33
ACE P12821 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31

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
SCHEMBL68486 0.81 LMNA (0.45) MMP1MMP2MMP3MMP9MMP13
SCHEMBL21056227 0.80 ALDH1A1 (0.43) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL18218913 0.80 ALDH1A1 (0.43) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL11389215 0.79 MMP1 (0.69) MMP1MMP2MMP3MMP9MMP13
SCHEMBL9346597 0.79 ALDH1A1 (0.50) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL24119152 0.79 MGAM (0.50) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL18832136 0.79 MGAM (0.50) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL811107 0.76 LMNA (0.54) ALDH1A1LMNASLC15A2TSHRMGAM
SCHEMBL16580864 0.76 ALDH1A1 (0.50) ALDH1A1LMNASLC15A2TSHRMGAM
SCHEMBL28233117 0.76 LMNA (0.53) ALDH1A1MMP1MMP2MMP3MMP9

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
EP-3498686-B1 HYDROCARBON-CONTAINING CARBOXYLIC ACID, HYDROCARBON-CONTAINING SULFONIC ACID, HYDROCARBON-CONTAINING SULFURIC ACID ESTER OR SALT THEREOF, AND SURFACTANT DAIKIN IND LTD (JP) 2025-06-18 EP disclosed
CN-118221526-A Hydrocarbon-containing carboxylic acid, hydrocarbon-containing sulfonic acid, hydrocarbon-containing sulfate or salts thereof, surfactant 大金工业株式会社 2024-06-21 CN disclosed
CN-109790102-B Hydrocarbon-containing carboxylic acid, hydrocarbon-containing sulfonic acid, hydrocarbon-containing sulfate or salts thereof, surfactant 大金工业株式会社 2024-04-19 CN disclosed
US-11198670-B2 Hydrocarbon-containing carboxylic acid, hydrocarbon-containing sulfonic acid, hydrocarbon-containing sulfuric acid ester or salt thereof, and surfactant DAIKIN INDUSTRIES, LTD. (JP) 2021-12-14 US disclosed
US-20200024222-A1 HYDROCARBON-CONTAINING CARBOXYLIC ACID, HYDROCARBON-CONTAINING SULFONIC ACID, HYDROCARBON-CONTAINING SULFURIC ACID ESTER OR SALT THEREOF, AND SURFACTANT DAIKIN INDUSTRIES, LTD. (JP) 2020-01-23 US disclosed
EP-3498686-A1 HYDROCARBON-CONTAINING CARBOXYLIC ACID, HYDROCARBON-CONTAINING SULFONIC ACID, HYDROCARBON-CONTAINING SULFURIC ACID ESTER OR SALT THEREOF, AND SURFACTANT Daikin Industries, Ltd. (JP) 2019-06-19 EP 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-20200024222-A1 HYDROCARBON-CONTAINING CARBOXYLIC ACID, HYDROCARBON-CONTAINING SULFONIC ACID, HYDROCARBON-CONTAINING SULFURIC ACID ESTER OR SALT THEREOF, AND SURFACTANT MSR1, HCAR3, C3AR1 ALDH1A1 2841/4885MMP1 4238/4885MMP2 3875/4885
US-11198670-B2 Hydrocarbon-containing carboxylic acid, hydrocarbon-containing sulfonic acid, hydrocarbon-containing sulfuric acid ester or salt thereof, and surfactant MSR1, HCAR3, C3AR1 ALDH1A1 2841/4885MMP1 4238/4885MMP2 3875/4885

“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.