SCHEMBL5194237

SCHEMBL5194237

CC(C)C(Cl)CC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ L3MBTL1 Q9Y468 5/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ KMT2A Q03164 6/20 0.51
▸ MEN1 O00255 5/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ GSK3B P49841 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ TRPA1 O75762 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ POLB P06746 1/20 0.47

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
SCHEMBL11484881 0.89 TSHR (0.55) TSHRL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL2598225 0.84 TSHR (0.59) TSHRL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL5196373 0.81 KMT2A (0.47) TSHRL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL9799560 0.79 TSHR (0.63) TSHRL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL2026026 0.79 TSHR (0.63) TSHRL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL2255355 0.79 TSHR (0.63) TSHRL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL5197311 0.79 TSHR (0.53) TSHRL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL5198199 0.79 HDAC3 (0.54) L3MBTL1ALDH1A1MAPTHPGDLMNA
SCHEMBL5194137 0.78 TSHR (0.57) TSHRL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL2949251 0.78 TSHR (0.61) TSHRL3MBTL1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403260-B1 Optically active epoxy compounds and processes for their production TOSOH CORP (JP) 2007-08-08 — — EP claimed
US-20040063979-A1 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2004-04-01 — — US claimed
EP-1403260-A2 Optically active epoxy compounds and processes for their production Tosoh Corporation (JP) 2004-03-31 — — EP claimed
EP-1403260-B1 Optically active epoxy compounds and processes for their production TOSOH CORP (JP) 2007-08-08 — — EP disclosed
US-7169944-B2 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2007-01-30 — — US disclosed
US-20040063979-A1 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2004-04-01 — — US disclosed
EP-1403260-A2 Optically active epoxy compounds and processes for their production Tosoh Corporation (JP) 2004-03-31 — — 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 (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-20040063979-A1 Optically active epoxy compounds and processes for their production CYP51A1, CYP11B1, PTGES TSHR 2859/4885L3MBTL1 3301/4885ALDH1A1 349/4885

“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.

Send feedback