SCHEMBL19658755

SCHEMBL19658755

CC(NC(=O)C(C)(C)C)c1ccc2c(c1)OCCO2

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.62
▸ PTGS1 P23219 1/20 0.56
▸ PTGS2 P35354 1/20 0.56
▸ HPGD P15428 2/20 0.52
▸ TSHR P16473 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ GAA P10253 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PDE2A O00408 1/20 0.48

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
SCHEMBL19658728 0.84 HTT (0.67) HTTPTGS1PTGS2HPGDTSHR
SCHEMBL23122211 0.79 HTT (0.61) HTTPTGS1PTGS2HPGDTSHR
SCHEMBL16133046 0.77 PTGS1 (0.51) HTTPTGS1PTGS2HPGDTSHR
SCHEMBL764726 0.75 PTGS1 (0.56) HTTPTGS1PTGS2HPGDTSHR
SCHEMBL13645937 0.75 HPGD (0.67) HTTHPGDALDH1A1LMNAKMT2A
SCHEMBL27846331 0.73 PTGS1 (0.78) HTTPTGS1PTGS2HPGDTSHR
SCHEMBL1131637 0.73 CYP1A2 (0.69) HTTHPGDTSHRALDH1A1LMNA
SCHEMBL17753763 0.73 PTGS1 (0.54) HTTPTGS1PTGS2HPGDTSHR
SCHEMBL29074397 0.72 HTT (0.53) HTTPTGS1PTGS2HPGDTSHR
SCHEMBL1056332 0.72 PTGS1 (1.00) HTTPTGS1PTGS2HPGDTSHR

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-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 — — US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 HTT 832/4885PTGS1 1978/4885PTGS2 3107/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 HTT 832/4885PTGS1 1978/4885PTGS2 3107/4885

“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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