SCHEMBL19786219

SCHEMBL19786219

COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC)ccc3CCC12

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 6/20 0.81
NR1H2 P55055 10/20 0.69
NR1H3 Q13133 10/20 0.69
SOD1 P00441 1/20 0.69
CYP3A4 P08684 2/20 0.65
CYP2C9 P11712 1/20 0.65
TSHR P16473 1/20 0.65
CYP2C19 P33261 1/20 0.65
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL24177920 1.00 POLA1 (0.81) POLA1NR1H2NR1H3SOD1CYP3A4
SCHEMBL19770990 1.00 POLA1 (0.81) POLA1NR1H2NR1H3SOD1CYP3A4
SCHEMBL7767289 1.00 POLA1 (0.81) POLA1NR1H2NR1H3SOD1CYP3A4
SCHEMBL12292033 1.00 POLA1 (0.81) POLA1NR1H2NR1H3SOD1CYP3A4
SCHEMBL25873377 0.91 POLA1 (0.68) POLA1NR1H2NR1H3SOD1CYP3A4
SCHEMBL19785805 0.90 NR1H2 (0.69) POLA1NR1H2NR1H3SOD1CYP3A4
SCHEMBL280198 0.89 POLA1 (1.00) POLA1NR1H2NR1H3CYP3A4CYP2C9
SCHEMBL12872352 0.89 POLA1 (1.00) POLA1NR1H2NR1H3CYP3A4CYP2C9
SCHEMBL5510769 0.89 POLA1 (1.00) POLA1NR1H2NR1H3CYP3A4CYP2C9
SCHEMBL29295275 0.87 POLA1 (0.62) POLA1NR1H2NR1H3SOD1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180015051-A1 MODULATORS OF ALPHA-DICARBONYL DETOXIFICATION AND THEIR USE FOR THE TREATMENT OF DIABETIC PATHOLOGIES BUCK INST RES AGING (US) 2018-01-18 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-20180015051-A1 MODULATORS OF ALPHA-DICARBONYL DETOXIFICATION AND THEIR USE FOR THE TREATMENT OF DIABETIC PATHOLOGIES TRPA1, TRPV1, TRPM2 POLA1 3859/4885NR1H2 841/4885NR1H3 1236/4885

“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.