SCHEMBL16626280

SCHEMBL16626280

CCC(=O)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.78
GAA P10253 1/20 0.78
PSMB1 P20618 5/20 0.71
PSMB5 P28074 5/20 0.71
PSMB2 P49721 4/20 0.71
THRB P10828 5/20 0.69
ALDH1A1 P00352 5/20 0.69
LMNA P02545 4/20 0.69
HRH3 Q9Y5N1 2/20 0.69
HRH2 P25021 2/20 0.69
HRH1 P35367 2/20 0.69
CYP1A2 P05177 1/20 0.69
CHRM2 P08172 1/20 0.69
CHRM4 P08173 1/20 0.69
CHRM5 P08912 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
ADRA2C P18825 1/20 0.69
DRD4 P21917 1/20 0.69
ACHE P22303 1/20 0.69

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
SCHEMBL14287617 0.99 SMN1; SMN2 (0.76) SMN1; SMN2GAAPSMB1PSMB5PSMB2
Hydrochloric Acid SCHEMBL10896094 0.97 SMN1; SMN2 (0.74) SMN1; SMN2GAAPSMB1PSMB5PSMB2
SCHEMBL492239 0.92 HRH3 (0.78) SMN1; SMN2GAATHRBALDH1A1LMNA
SCHEMBL863278 0.89 THRB (0.78) SMN1; SMN2GAAPSMB1PSMB5PSMB2
SCHEMBL12670301 0.87 SMN1; SMN2 (1.00) SMN1; SMN2GAAPSMB1PSMB5THRB
SCHEMBL14287618 0.87 THRB (0.81) SMN1; SMN2PSMB1PSMB5PSMB2THRB
SCHEMBL25394117 0.85 ABCB1 (0.65) SMN1; SMN2GAATHRBALDH1A1LMNA
SCHEMBL6534752 0.85 KDM4E (0.77) PSMB1PSMB5PSMB2ALDH1A1HRH3
SCHEMBL6597214 0.84 PSMB1 (0.97) PSMB1PSMB5PSMB2ALDH1A1HRH3
SCHEMBL12193816 0.84 KDM4E (0.80) PSMB1PSMB5PSMB2THRBALDH1A1

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-20150099810-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2015-04-09 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-20150099810-A1 PHOTOLABILE PRO-FRAGRANCES TRPA1, PSAP, CRY1 SMN1; SMN2 2945/4885GAA 2003/4885PSMB1 236/4885

“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.