SCHEMBL21628145

SCHEMBL21628145

O[C@@H]1CC[C@@H]2CC[C@@H]3[C@H](CC[C@@H]4CCC[C@H]43)[C@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
CA12 O43570 2/20 0.32
GMNN O75496 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
LMNA P02545 2/20 0.32
BLM P54132 2/20 0.32
CA9 Q16790 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
SGMS1 Q86VZ5 1/20 0.32
SGMS2 Q8NHU3 1/20 0.32
CTDSP1 Q9GZU7 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9276620 1.00 MAPT (0.32) MAPTCA12GMNNALDH1A1CA1
SCHEMBL18434998 1.00 MAPT (0.32) MAPTCA12GMNNALDH1A1CA1
SCHEMBL28257150 0.91 MAPT (0.32) MAPTCA12GMNNALDH1A1CA1
SCHEMBL17538638 0.91 MAPT (0.32) MAPTCA12GMNNALDH1A1CA1
SCHEMBL25688662 0.91 MAPT (0.32) MAPTCA12GMNNALDH1A1CA1
SCHEMBL18683565 0.91 MAPT (0.32) MAPTCA12GMNNALDH1A1CA1
SCHEMBL11283293 0.91 MAPT (0.32) MAPTCA12GMNNALDH1A1CA1
SCHEMBL4544647 0.91 MAPT (0.32) MAPTCA12GMNNALDH1A1CA1
SCHEMBL18391716 0.91 MAPT (0.32) MAPTCA12GMNNALDH1A1CA1
SCHEMBL18683555 0.91 MAPT (0.32) MAPTCA12GMNNALDH1A1CA1

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-20200030304-A1 MITIGATION OF CNS DISORDERS BY COMBINATION THERAPY USING NEUROSTEROIDS, AND AMPA BLOCKERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-01-30 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-20200030304-A1 MITIGATION OF CNS DISORDERS BY COMBINATION THERAPY USING NEUROSTEROIDS, AND AMPA BLOCKERS GABRA4, GABRG1, GABRB2 MAPT 1740/4885CA12 2289/4885GMNN 4497/4885

“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.