SCHEMBL24703987

SCHEMBL24703987

COc1cc(CC(C)C)cc(OC)c1OC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ FOS P01100 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ JUN P05412 1/20 0.40
▸ AOC3 Q16853 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ HSD17B1 P14061 1/20 0.40
▸ HSD17B2 P37059 1/20 0.40
▸ SRC P12931 1/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37

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
SCHEMBL19543390 0.88 CSNK2A1 (0.37) GAAALDH1A1FOSTTRJUN
SCHEMBL5572443 0.86 PTGS2 (0.59) PTGS2HTR2AHTR2CHTR2BAOC3
SCHEMBL20118746 0.82 PTGS2 (0.67) PTGS2GAAALDH1A1HTR2AHTR2C
SCHEMBL20445444 0.81 POLB (0.38) ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL24703587 0.79 SRC (0.43) PTGS2GAAALDH1A1HTR2AHTR2C
SCHEMBL24265171 0.79 POLB (0.36) ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL24703997 0.78 PTGS2 (0.41) PTGS2ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL12775553 0.78 LDHA (0.51) GAAFOSTTRJUNAOC3
SCHEMBL1968791 0.78 HTR2A (0.70) PTGS2GAAHTR2AHTR2CHTR2B
SCHEMBL17149189 0.76 PPARG (0.34) NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2023-10-26 — — US disclosed
US-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2023-10-26 — — US disclosed
US-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2022-12-15 — — 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 (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-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 PTGS2 335/4885GAA 1410/4885ALDH1A1 1218/4885
US-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 PTGS2 335/4885GAA 1410/4885ALDH1A1 1218/4885

“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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