SCHEMBL19786281

SCHEMBL19786281

B[C@H]1C(=O)c2ccc(OC)cc2[C@@]2(C)CCC[C@](C)(C(=O)OC)C12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 6/20 0.47
CYP3A4 P08684 3/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
GLI1 P08151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SOD1 P00441 1/20 0.41
OPRD1 P41143 1/20 0.39
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL19786283 0.87 POLA1 (0.47) POLA1CYP3A4MAPTALDH1A1ALOX15
SCHEMBL445153 0.74 CYP3A4 (0.51) POLA1CYP3A4MAPTALDH1A1ALOX15
SCHEMBL445154 0.74 CYP3A4 (0.51) POLA1CYP3A4MAPTALDH1A1ALOX15
SCHEMBL19770990 0.72 POLA1 (0.81) POLA1CYP3A4MAPTSMN1; SMN2SOD1
SCHEMBL12292033 0.72 POLA1 (0.81) POLA1CYP3A4MAPTSMN1; SMN2SOD1
SCHEMBL24177920 0.72 POLA1 (0.81) POLA1CYP3A4MAPTSMN1; SMN2SOD1
SCHEMBL19786219 0.72 POLA1 (0.81) POLA1CYP3A4MAPTSMN1; SMN2SOD1
SCHEMBL7767289 0.72 POLA1 (0.81) POLA1CYP3A4MAPTSMN1; SMN2SOD1
SCHEMBL12827353 0.71 OPRD1 (0.46) POLA1CYP3A4ALDH1A1SMN1; SMN2OPRD1
SCHEMBL16499412 0.71 OPRD1 (0.46) POLA1CYP3A4ALDH1A1SMN1; SMN2OPRD1

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 3859/4885CYP3A4 1475/4885MAPT 2771/4885

“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.