SCHEMBL12554649

SCHEMBL12554649

CN(C)c1ccccc1C1CCC(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 14/20 0.41
ESR2 Q92731 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SMPD3 Q9NY59 1/20 0.35
HTR2C P28335 1/20 0.34

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
Hydrochloric Acid SCHEMBL28520193 0.81 HTR1D (0.42) NTSR1HTR2C
SCHEMBL5220798 0.81 HTR1D (0.42) NTSR1HTR2C
Hydrochloric Acid SCHEMBL28502715 0.79 HTR1D (0.41) NTSR1HTR2C
Hydrochloric Acid SCHEMBL28515535 0.79 HTR1D (0.41) NTSR1HTR2C
SCHEMBL15818392 0.78 HTR2C (0.59) HTR2C
SCHEMBL6605558 0.77 MEN1 (0.47) NTSR1ALDH1A1TP53GAAMAPT
Hydrochloric Acid SCHEMBL7666084 0.76 HTR2C (0.61) HTR2C
SCHEMBL17376277 0.76 GRIN2D (0.40) NTSR1SMPD3
SCHEMBL12554645 0.76 HTR1D (0.38) ESR2ALDH1A1TP53GAAMAPT
SCHEMBL1509720 0.72 ESR2 (0.47) ESR2ALDH1A1GAAMAPTSMN1; SMN2

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-20110130392-A1 Method of Administering a Methylene Blue - Curcumin Analog for the Treatment of Alzheimer's Disease DEPUY SPINE, LLC 2011-06-02 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-20110130392-A1 Method of Administering a Methylene Blue - Curcumin Analog for the Treatment of Alzheimer's Disease APP, PSEN2, MAPT NTSR1 2857/4885ESR2 1351/4885ALDH1A1 438/4885

“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.