SCHEMBL12768232

SCHEMBL12768232

CC#Cc1cc(C=O)n([C@H]2C[C@@H](O)[C@@H](CC)O2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.36
TK2 O00142 1/20 0.36
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX12 P18054 1/20 0.34
ADRA1A P35348 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1035161 0.91 LMNA (0.43) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL12768231 0.91 LMNA (0.43) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL1032736 0.81 TYMP (0.48)
SCHEMBL12768228 0.78
SCHEMBL1034976 0.74 ALDH1A1 (0.36) LMNACYP1A2
SCHEMBL12697415 0.72 TK1 (0.47) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL12212659 0.72 SLC5A2 (0.42) TK2LMNABLMPMP22
SCHEMBL2495634 0.72 SLC5A2 (0.42) TK2LMNABLMPMP22
SCHEMBL2498542 0.71 TK1 (0.42) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL24653132 0.70 TK1 (0.53) TK1TK2LMNASMN1; SMN2ALOX12

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-8426569-B2 DNA capable of being amplified by PCR with high selectivity and high efficiency RIKEN (JP) 2013-04-23 US disclosed
US-20110053782-A1 NOVEL DNA CAPABLE OF BEING AMPLIFIED BY PCR WITH HIGH SELECTIVITY AND HIGH EFFICIENCY RIKEN (JP) 2011-03-03 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 (1 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-20110053782-A1 NOVEL DNA CAPABLE OF BEING AMPLIFIED BY PCR WITH HIGH SELECTIVITY AND HIGH EFFICIENCY POLRMT, POLN, POLL TK1 186/4885TK2 139/4885LMNA 1568/4885

“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.