SCHEMBL7809363

SCHEMBL7809363

CC(C)COC(=O)Cl.CC(C)OC(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 3/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
RAB9A P51151 1/20 0.31
P2RX4 Q99571 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL1745 0.89
Hydrochloric Acid SCHEMBL28817307 0.86
Ammonia Solution, Strong SCHEMBL28186859 0.86
Formic Acid SCHEMBL28028893 0.84 TSHR (0.48) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
Methylene Chloride SCHEMBL27882248 0.84 TSHR (0.46) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
Acetone SCHEMBL27460064 0.84 TSHR (0.52) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL16447031 0.84 TSHR (0.46) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
Butane SCHEMBL5396024 0.82 TSHR (0.45) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL11054852 0.82 TSHR (0.35) TSHRALDH1A1SMN1; SMN2LMNAMAPT
Acetic Acid SCHEMBL28133213 0.82 TSHR (0.50) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2

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-0565774-B1 Process for preparing amide derivatives from halominotriazines and acid halides CYTEC TECH CORP (US) 2001-03-28 EP claimed
US-11440922-B2 Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors Recordati Industria Chimica e Farmacentica S.p.A. (IT) 2022-09-13 US disclosed
US-20200347078-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 2020-11-05 US disclosed
EP-3645521-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS Recordati Industria Chimica E Farmaceutica SPA (IT) 2020-05-06 EP disclosed
WO-2019002571-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2019-01-03 WO disclosed
US-4301072-A Process for preparing aminopenicillins AMERICAN HOME PRODUCTS CORPORATION (US) 1981-11-17 US disclosed
US-4231954-A Dane salt and process for preparing aminopenicillins therefrom AMERICAN HOME PRODUCTS CORPORATION (US) 1980-11-04 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-20200347078-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS GRM5, GRIK5, GRM2 TSHR 569/4885ALDH1A1 3850/4885TDP1 1777/4885
US-11440922-B2 Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors GRM5, GRIK5, GRM2 TSHR 569/4885ALDH1A1 3850/4885TDP1 1777/4885

“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.