SCHEMBL9987665

SCHEMBL9987665

CC(C)(O)C12CC3CC(CC(C(=O)O)(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
THRB P10828 1/20 0.40
RBP4 P02753 1/20 0.40
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.33
HTT P42858 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
SCHEMBL12104274 0.90 ALDH1A1 (0.42) ALDH1A1PKML3MBTL1THRBRBP4
SCHEMBL7462741 0.83 ALDH1A1 (0.46) ALDH1A1PKML3MBTL1THRBRBP4
SCHEMBL7458471 0.83 ALDH1A1 (0.46) ALDH1A1PKML3MBTL1THRBRBP4
SCHEMBL6829593 0.83 ALDH1A1 (0.42) ALDH1A1PKML3MBTL1THRBRBP4
SCHEMBL9987662 0.81 THRB (0.41) ALDH1A1THRBGAALMNA
SCHEMBL7455012 0.81 ALDH1A1 (0.47) ALDH1A1PKML3MBTL1THRBRBP4
SCHEMBL7457201 0.81 ALDH1A1 (0.43) ALDH1A1PKML3MBTL1THRBRBP4
SCHEMBL7457413 0.81 ALDH1A1 (0.43) ALDH1A1PKML3MBTL1THRBRBP4
SCHEMBL5193595 0.80 THRB (0.33) PKMTHRBGAA
SCHEMBL9988372 0.80 CYP17A1 (0.40) ALDH1A1L3MBTL1THRBGAAKMT2A

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-8598292-B2 Adamantane derivative, method for producing same, polymer using same as starting material, and resin composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-12-03 US disclosed
US-20110319584-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING SAME, POLYMER USING SAME AS STARTING MATERIAL, AND RESIN COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC (JP) 2011-12-29 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-20110319584-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING SAME, POLYMER USING SAME AS STARTING MATERIAL, AND RESIN COMPOSITION EEF1A1, ADGRF1, ERCC4 ALDH1A1 457/4885PKM 3995/4885L3MBTL1 3909/4885

“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.