SCHEMBL889177

SCHEMBL889177

[2H]C[C@H]1O[C@@H](B)CC1OC(=O)CCC(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX2 P34913 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL817541 0.84 TSHR (0.38) TSHRLMNAKDM4EALDH1A1MAPT
SCHEMBL10013633 0.78 TSHR (0.38) TSHRLMNAKDM4EALDH1A1MAPT
SCHEMBL817934 0.72 MMP3 (0.36) TSHRLMNAALDH1A1HTT
SCHEMBL9913498 0.67 PRKCA (0.35) ALDH1A1
SCHEMBL13596762 0.65 TSHR (0.39) TSHRLMNAKDM4EALDH1A1MAPT
SCHEMBL11305517 0.63 TSHR (0.42) TSHRLMNAALDH1A1KMT2AEPHX2
Dimethyl Succinate SCHEMBL28054469 0.61 TSHR (1.00) TSHRLMNAKDM4EALDH1A1MAPT
Dimethyl Succinate SCHEMBL10213 0.61 TSHR (1.00) TSHRLMNAKDM4EALDH1A1MAPT
SCHEMBL14013025 0.60 TSHR (0.50) TSHRLMNAKDM4EALDH1A1MAPT
SCHEMBL24555876 0.59 PRKCA (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653152-B2 Porous resin bead and method for producing nucleic acid using the same NITTO DENKO CORPORATION (JP) 2014-02-18 US disclosed
US-20120010396-A1 PRODUCTION METHOD OF POROUS RESIN BEAD NITTO DENKO CORPORATION (JP) 2012-01-12 US disclosed
US-20110065818-A1 POROUS RESIN BEAD AND METHOD FOR PRODUCING NUCLEIC ACID USING THE SAME NITTO DENKO CORPORATION (JP) 2011-03-17 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-20120010396-A1 PRODUCTION METHOD OF POROUS RESIN BEAD ACMSD, MLN, APEH TSHR 3729/4885LMNA 4758/4885KDM4E 173/4885
US-20110065818-A1 POROUS RESIN BEAD AND METHOD FOR PRODUCING NUCLEIC ACID USING THE SAME PCNA, ARID2, PARN TSHR 3703/4885LMNA 1351/4885KDM4E 1041/4885

“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.