SCHEMBL20028528

SCHEMBL20028528

CCOC(=O)c1coc(C)c1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
ALDH1A1 P00352 9/20 0.52
MAPT P10636 6/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
HPGD P15428 4/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 3/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAOB P27338 1/20 0.52
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
GRM6 O15303 1/20 0.47
TARBP2 Q15633 1/20 0.47
MEN1 O00255 2/20 0.46

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
SCHEMBL8365211 0.80 TSHR (0.66) TSHRALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL27569291 0.77 ALDH1A1 (0.57) TSHRALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL3409831 0.75 MAOB (0.52) TSHRALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL22897234 0.75 PPARG (0.42) POLB
SCHEMBL11159137 0.75 TSHR (0.52) TSHRALDH1A1MAPTLMNAGAA
SCHEMBL27535568 0.75 ALDH1A1 (0.68) TSHRALDH1A1MAPTSMN1; SMN2HPGD
Diethyl Phthalate SCHEMBL19252611 0.74 TSHR (0.95) TSHRALDH1A1LMNAKDM4EHSD17B10
Diethyl Phthalate SCHEMBL28775845 0.74 TSHR (0.95) TSHRALDH1A1LMNAKDM4EHSD17B10
SCHEMBL4652490 0.74 TSHR (0.56) TSHRALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL11274585 0.74 MAOB (0.65) TSHRALDH1A1MAPTHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 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 (3 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 TSHR 4380/4885ALDH1A1 4193/4885MAPT 562/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 TSHR 4691/4885ALDH1A1 4421/4885MAPT 330/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 TSHR 4380/4885ALDH1A1 4193/4885MAPT 562/4885

“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.