SCHEMBL13880438

SCHEMBL13880438

CC(C)(C)C1=C(O)C(C(C)(C)C)=C1O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
ATP2A2 P16615 1/20 0.35
ATP2A3 Q93084 1/20 0.35
TYR P14679 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
LMNA P02545 1/20 0.33
CA2 P00918 3/20 0.32
CA1 P00915 1/20 0.32
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9321186 0.72 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTALOX15LMNA
SCHEMBL8849510 0.58 ALDH1A1 (0.42) ALDH1A1MAPT
SCHEMBL19193446 0.56 CA2 (0.36) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL18027480 0.52
SCHEMBL13015646 0.51
SCHEMBL13410856 0.48
SCHEMBL39492 0.47
Tert-Butanol SCHEMBL282 0.47
Tert-Butanol SCHEMBL20503401 0.47 ALDH1A1 (0.46) ALDH1A1LMNATSHR
Tert-Butanol SCHEMBL788666 0.47 ALDH1A1 (0.46) ALDH1A1LMNATSHR

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-20090087376-A1 Heterocyclic Dye Compounds For In Vivo Imaging And Diagnosis Of Alzheimer's Disease THE GENERAL HOSPITAL CORPORATION (US) 2009-04-02 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-20090087376-A1 Heterocyclic Dye Compounds For In Vivo Imaging And Diagnosis Of Alzheimer's Disease APP, PSEN1, BACE1 ALDH1A1 317/4885SMN1; SMN2 436/4885KDM4E 2609/4885

“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.