SCHEMBL464444

SCHEMBL464444

COC(=O)COC(=O)CCNC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RECQL P46063 2/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

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
SCHEMBL420456 0.86 TSHR (0.55) TSHRCA12CA14ALDH1A1MEN1
SCHEMBL20093517 0.85 MEN1 (0.33) ALDH1A1MEN1KMT2ARECQLLMNA
SCHEMBL13130770 0.84 HTT (0.38) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL13029061 0.83 MAPK1 (0.38) ALDH1A1MEN1KMT2ARECQLLMNA
SCHEMBL11990733 0.81 PAM (0.33) ALDH1A1MEN1KMT2ARECQLLMNA
SCHEMBL11186122 0.80 GAA (0.50) ALDH1A1KMT2AGAAMGAMSI
SCHEMBL15949790 0.79 TSHR (0.63) TSHRCA12CA14ALDH1A1MEN1
SCHEMBL11981937 0.78 TSHR (0.41) TSHRCA12CA14ALDH1A1MEN1
SCHEMBL15870724 0.78 TSHR (0.44) TSHRCA12CA14ALDH1A1MEN1
SCHEMBL18738818 0.77 ALDH1A1 (0.43) ALDH1A1LMNAMAPTTDP1

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-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2012-03-15 US disclosed
US-20120004195-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2012-01-05 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-20120004195-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 TSHR 4535/4885CA12 1452/4885CA14 1572/4885
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 TSHR 2636/4885CA12 39/4885CA14 38/4885

“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.