SCHEMBL22021550

SCHEMBL22021550

CCC(C)CCCC(C)CCCC(C)(C)c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.33
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA7 P43166 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ TSHR P16473 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ NT5E P21589 1/20 0.32
▸ CNR2 P34972 4/20 0.31
▸ PTPN2 P17706 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ CDC25B P30305 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL22021551 0.84 TDP1 (0.36) —
SCHEMBL21054984 0.81 SHBG (0.44) LMNATSHRALDH1A1CNR2CNR1
SCHEMBL6537146 0.79 CNR2 (0.49) CNR2CNR1
SCHEMBL1930607 0.74 NR1I2 (0.50) LMNACA1CA2CA7CA14
SCHEMBL4733508 0.73 LMNA (0.45) LMNATSHRALDH1A1NT5ECNR2
SCHEMBL1930733 0.72 NR1I2 (0.38) LMNACA1CA2CA7CA14
SCHEMBL9812254 0.72 S1PR2 (0.45) LMNACA1CA2ALDH1A1SMN1; SMN2
SCHEMBL23059445 0.72 LMNA (0.41) LMNACA1CA2TSHRALDH1A1
Hydrochloric Acid SCHEMBL28138846 0.72 LMNA (0.43) LMNATSHRALDH1A1NT5ECNR2
SCHEMBL1930900 0.71 S1PR2 (0.44) LMNACA1CA2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220010234-A1 ALKYLBENZENE SULFONATE DETERGENTS THE LUBRIZOL CORPORATION (US) 2022-01-13 — — US disclosed
WO-2020102672-A1 ALKYLBENZENE SULFONATE DETERGENTS THE LUBRIZOL CORPORATION (US) 2020-05-22 — — 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-20220010234-A1 ALKYLBENZENE SULFONATE DETERGENTS DSG1, TRIB1, DSP LMNA 3358/4885CA1 1532/4885CA2 1675/4885

“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.

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