SCHEMBL13811702

SCHEMBL13811702

CC1(C)CCC[C@@]2(C)c3ccc(O)cc3CC(=O)[C@@H]12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 0.46
▸ NR1H2 P55055 4/20 0.39
▸ NR1H3 Q13133 4/20 0.39
▸ ESR1 P03372 3/20 0.37
▸ ESR2 Q92731 3/20 0.37
▸ OPRM1 P35372 6/20 0.37
▸ HSD17B1 P14061 2/20 0.37
▸ EP300 Q09472 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ OPRD1 P41143 3/20 0.36
▸ OPRK1 P41145 3/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ ENTPD5 O75356 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ AKR1B10 O60218 1/20 0.36
▸ SHBG P04278 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ PGR P06401 1/20 0.36

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
SCHEMBL16499573 0.76 OPRM1 (0.45) NR1H2NR1H3OPRM1OPRD1OPRK1
SCHEMBL15223566 0.76 EP300 (0.39) SOD1NR1H2NR1H3ESR1ESR2
SCHEMBL13811695 0.76 EP300 (0.39) SOD1NR1H2NR1H3ESR1ESR2
SCHEMBL6282209 0.72 SOD1 (0.66) SOD1NR1H2NR1H3LMNACYP3A4
SCHEMBL18290367 0.69 FDPS (0.50) CYP3A4ALDH1A1MAPTHSD17B10
SCHEMBL12234042 0.67 ENTPD5 (0.63) SOD1NR1H2NR1H3CYP3A4ALDH1A1
SCHEMBL12234033 0.67 ENTPD5 (0.63) SOD1NR1H2NR1H3CYP3A4ALDH1A1
SCHEMBL12234038 0.67 ENTPD5 (0.63) SOD1NR1H2NR1H3CYP3A4ALDH1A1
SCHEMBL12234034 0.67 ENTPD5 (0.63) SOD1NR1H2NR1H3CYP3A4ALDH1A1
SCHEMBL12014319 0.66 DRD2 (0.47) ESR1ESR2HSD17B1LMNACYP3A4

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-20090149551-A1 OXIDIZED cis-TERPENONE AND ITS USE AS A CHEMOPROTECTIVE AND ANTI-MALARIAL AGENT VIRGINIA COMMONWEALTH UNIVERSITY 2009-06-11 — — 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-20090149551-A1 OXIDIZED cis-TERPENONE AND ITS USE AS A CHEMOPROTECTIVE AND ANTI-MALARIAL AGENT CYP8B1, FNTB, TOP2B SOD1 1355/4885NR1H2 29/4885NR1H3 43/4885

“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.

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