SCHEMBL7129369

SCHEMBL7129369

C#CN(C)c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ACHE P22303 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 4/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP3A4 P08684 3/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ESR1 P03372 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PYCR1 P32322 1/20 0.31

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
SCHEMBL18190894 0.81 TSHR (0.43) TSHRACHESIGMAR1LMNASLC6A2
SCHEMBL7961573 0.77 TSHR (0.43) TSHRACHESIGMAR1LMNASLC6A2
SCHEMBL2093822 0.77 TSHR (0.39) TSHRACHESIGMAR1LMNACYP3A4
SCHEMBL6606508 0.73 MEN1 (0.42) TSHRSIGMAR1LMNACYP3A4ALDH1A1
SCHEMBL25101321 0.72 MAOA (0.44) TSHRLMNACYP3A4ALDH1A1KDM4E
SCHEMBL2620728 0.72 ACHE (0.50) TSHRACHESIGMAR1LMNASLC6A2
SCHEMBL29435133 0.72 TSHR (0.50) TSHRACHESIGMAR1LMNASLC6A2
SCHEMBL29239 0.72 TSHR (0.50) TSHRACHESIGMAR1LMNASLC6A2
SCHEMBL6563222 0.71 SIGMAR1 (0.45) SIGMAR1LMNAALDH1A1
Hydrochloric Acid SCHEMBL2869837 0.70 TSHR (0.47) TSHRACHESIGMAR1LMNASLC6A2

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-6664408-B2 Contacting a polyoxometalate and an amine in the presence of a diimide THE CURATORS OF THE UNIVERSITY OF MISSOURI 2003-12-16 US disclosed
US-20020165405-A1 Process for preparing organically-substituted polyoxometalates THE CURATORS OF THE UNIVERSITY OF MISSOURI 2002-11-07 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-20020165405-A1 Process for preparing organically-substituted polyoxometalates TET2, ALKBH3, FTO TSHR 4832/4885ACHE 611/4885SIGMAR1 754/4885

“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.