SCHEMBL30345985

SCHEMBL30345985

CCCCN(CCCC)CCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.54
▸ PTGS1 P23219 4/20 0.49
▸ CXCR1 P25024 3/20 0.49
▸ CXCR2 P25025 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ AKR1C3 P42330 2/20 0.49
▸ ALB P02768 1/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ RARB P10826 1/20 0.49
▸ ADRB3 P13945 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ NR1I3 Q14994 1/20 0.49
▸ SLC22A6 Q4U2R8 1/20 0.49
▸ CXCL8 P10145 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ AKR1C2 P52895 1/20 0.49
▸ BLM P54132 1/20 0.49

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
SCHEMBL30345934 0.95 PTGS2 (0.52) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL3824048 0.92 PTGS2 (0.56) PTGS2PTGS1CXCR1CXCR2LMNA
Ibuprofen Trelamine SCHEMBL30345799 0.88 PTGS2 (0.57) PTGS2PTGS1CXCR1CXCR2LMNA
Ibuprofen Trelamine SCHEMBL30346084 0.88 PTGS2 (0.57) PTGS2PTGS1CXCR1CXCR2LMNA
Ibuprofen Trelamine SCHEMBL2467991 0.88 PTGS2 (0.57) PTGS2PTGS1CXCR1CXCR2LMNA
Ibuprofen Trelamine SCHEMBL25249124 0.87 PTGS2 (0.56) PTGS2PTGS1CXCR1CXCR2LMNA
Ibuprofen Trelamine SCHEMBL2575591 0.87 PTGS2 (0.56) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL13291917 0.86 PTGS2 (0.61) PTGS2PTGS1CXCR1CXCR2LMNA
Ibuprofen Trelamine SCHEMBL16049968 0.85 PTGS2 (0.54) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL2129263 0.84 PTGS2 (0.59) PTGS2PTGS1CXCR1CXCR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230157952-A1 METHOD FOR IMPROVING THE STABILITY OF A PHARMACEUTICAL COMPOSITION COMPRISING A HIGH PENETRATION DRUG, AND THE PHARMACEUTICAL COMPOSITION OBTAINED THEREFROM TECHFIELDS INC. (US) 2023-05-25 — — US 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-20230157952-A1 METHOD FOR IMPROVING THE STABILITY OF A PHARMACEUTICAL COMPOSITION COMPRISING A HIGH PENETRATION DRUG, AND THE PHARMACEUTICAL COMPOSITION OBTAINED THEREFROM SLC7A1, ABCG2, SLCO4C1 PTGS2 619/4885PTGS1 707/4885CXCR1 2670/4885

“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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