SCHEMBL23214414

SCHEMBL23214414

CC(=O)c1cccc(C(=O)[O-])c1O.CCCC[P+](CCCC)(CCCC)CCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CA2 P00918 2/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 1/20 0.37
LTB4R Q15722 4/20 0.37
LTB4R2 Q9NPC1 4/20 0.37
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 1/20 0.34
BDKRB2 P30411 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
MAPT P10636 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
Hydroxytoluic Acid SCHEMBL23214419 0.85 ALDH1A1 (0.47) ALDH1A1CA2CYP3A4LMNAKDM4E
Hydroxytoluic Acid SCHEMBL29794311 0.85 ALDH1A1 (0.47) ALDH1A1CA2CYP3A4LMNAKDM4E
Phthalic Acid SCHEMBL5048545 0.82 ALDH1A1 (0.47) ALDH1A1CA2CYP3A4LMNAKDM4E
SCHEMBL10792356 0.82 LTB4R (0.37) ALDH1A1CYP3A4LMNALTB4RLTB4R2
SCHEMBL2133320 0.81 KDM4E (0.52) ALDH1A1CA2LTB4RLTB4R2KDM4E
Lithium Ion SCHEMBL1457619 0.81 KDM4E (0.47) ALDH1A1LMNAKDM4EHPGDTDP1
Potassium Ion SCHEMBL5250865 0.81 KDM4E (0.47) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL20484784 0.81 KDM4E (0.47) ALDH1A1LMNAKDM4EHPGDTDP1
SCHEMBL4393614 0.81 KDM4E (0.47) ALDH1A1LMNAKDM4EHPGDTDP1
SCHEMBL10404578 0.81 KDM4E (0.47) ALDH1A1LMNAKDM4EHPGDTDP1

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-20240058452-A1 PHARMACEUTICAL COMPOSITION CONTAINING TEMPERATURE-RESPONSIVE IONIC LIQUID TORAY INDUSTRIES, INC. (JP) 2024-02-22 US disclosed
EP-4043007-A1 PHARMACEUTICAL COMPOSITION INCLUDING TEMPERATURE-RESPONSIVE IONIC LIQUID Toray Industries, Inc. (JP) 2022-08-17 EP disclosed
CN-114502142-A Pharmaceutical compositions comprising temperature-responsive ionic liquids 东丽株式会社 2022-05-13 CN disclosed
WO-2021070893-A1 PHARMACEUTICAL COMPOSITION INCLUDING TEMPERATURE-RESPONSIVE IONIC LIQUID 東レ株式会社 2021-04-15 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 (1 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-20240058452-A1 PHARMACEUTICAL COMPOSITION CONTAINING TEMPERATURE-RESPONSIVE IONIC LIQUID SULT1A1, CYP2C19, SULT2A1 ALDH1A1 1394/4885CA2 234/4885CYP3A4 36/4885

“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.