SCHEMBL13480686

SCHEMBL13480686

COc1ccc(CNCCOCCN(C)Cc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
ACHE P22303 4/20 0.58
SIGMAR1 Q99720 2/20 0.53
TMEM97 Q5BJF2 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ATM Q13315 1/20 0.51
BCHE P06276 1/20 0.50
RAD52 P43351 1/20 0.49
PAX8 Q06710 1/20 0.49
OPRK1 P41145 1/20 0.48
MAOB P27338 1/20 0.47

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
SCHEMBL13480685 0.88 TSHR (0.77) TSHRACHESIGMAR1MAOB
SCHEMBL17230503 0.81 MEN1 (0.66) MEN1KMT2AATMBCHERAD52
SCHEMBL8944637 0.76 SIGMAR1 (0.68) TSHRSIGMAR1TMEM97MEN1KMT2A
SCHEMBL16039094 0.76 ACHE (0.76) TSHRACHESIGMAR1MEN1KMT2A
SCHEMBL29336578 0.75 TSHR (0.69) TSHRACHESIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL11094774 0.75 SIGMAR1 (0.66) TSHRSIGMAR1TMEM97MEN1KMT2A
SCHEMBL21070282 0.74 TSHR (0.56) TSHRACHEBCHEMAOB
SCHEMBL21069435 0.74 TSHR (0.56) TSHRACHEBCHEMAOB
SCHEMBL1279045 0.74 HTT (0.73) MEN1KMT2AATMBCHE
SCHEMBL9179347 0.74 ACHE (1.00) ACHESIGMAR1MEN1KMT2A

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-7655768-B2 Galactose derivative, drug carrier and medicinal composition NIPPON SHINYAKU CO., LTD. (JP) 2010-02-02 US disclosed
US-20070244058-A1 Galactose Derivative, Drug Carrier and Medicinal Composition NIPPON SHINYAKU CO., LTD. (JP) 2007-10-18 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-20070244058-A1 Galactose Derivative, Drug Carrier and Medicinal Composition GALK1, GALE, UGGT1 TSHR 2018/4885ACHE 4400/4885SIGMAR1 1588/4885

“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.