SCHEMBL1728121

SCHEMBL1728121

COC(C)OC(=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
ELANE P08246 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL13647266 0.85 TSHR (0.38) SMN1; SMN2TSHRELANE
Ammonia Solution, Strong SCHEMBL31304789 0.82 TSHR (0.36) SMN1; SMN2TSHRELANE
SCHEMBL3020915 0.81 TP53 (0.36) SMN1; SMN2TSHRCA14
SCHEMBL9764287 0.79 SMN1; SMN2 (0.31) SMN1; SMN2TSHR
SCHEMBL19976145 0.77 TP53 (0.33) SMN1; SMN2
SCHEMBL12413027 0.77 SMN1; SMN2 (0.39) SMN1; SMN2CA14
SCHEMBL984063 0.77 TSHR (0.36) SMN1; SMN2TSHR
SCHEMBL2473035 0.76 TSHR (0.32) TSHRELANE
SCHEMBL7601923 0.76 TSHR (0.50) SMN1; SMN2TSHRELANE
SCHEMBL5986989 0.76 TSHR (0.50) SMN1; SMN2TSHRELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771688-B2 Pyridine derivatives substituted by heterocyclic ring and amino group AMPLYX PHARMACEUTICALS, INC. (US) 2023-10-03 US disclosed
US-20230257347-A1 ADVANTAGEOUS TRYPTAMINE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-08-17 US disclosed
WO-2023134465-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-07-20 WO disclosed
US-20150166520-A1 AMIDO-SUBSTITUTED PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2015-06-18 US disclosed
US-8114949-B2 (Meth)acrylate, polymer and resist composition MITSUBISHI RAYON CO., LTD. (JP) 2012-02-14 US disclosed
EP-2403481-A1 ORAL DOSAGE FORMS HAVING A HIGH LOADING OF A GABAPENTIN PRODRUG XenoPort, Inc. (US) 2012-01-11 EP disclosed
WO-2010102252-A1 ORAL DOSAGE FORMS HAVING A HIGH LOADING OF A GABAPENTIN PRODRUG XENOPORT, INC. (US) 2010-09-10 WO disclosed
US-20090226851-A1 (METH)ACRYLATE, POLYMER AND RESIST COMPOSITION MITSUBISHI RAYON CO., LTD. (JP) 2009-09-10 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 (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-20230257347-A1 ADVANTAGEOUS TRYPTAMINE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT HTR6, TPH2, TPH1 SMN1; SMN2 1079/4885TSHR 842/4885ELANE 1844/4885
US-11771688-B2 Pyridine derivatives substituted by heterocyclic ring and amino group ERG28, PDXK, PAH SMN1; SMN2 3484/4885TSHR 4387/4885ELANE 1522/4885
US-20150166520-A1 AMIDO-SUBSTITUTED PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF HIV INFECTION ARG1, ASS1, ARG2 SMN1; SMN2 2816/4885TSHR 2027/4885ELANE 532/4885

“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.