SCHEMBL1735148

SCHEMBL1735148

CCC([NH])Oc1cc(C)cc(C)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3242720 0.74 ALDH1A1 (0.40) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL1735150 0.74 ALDH1A1 (0.38) ALDH1A1CYP3A4TSHRMAPK1TDP1
Hydrochloric Acid SCHEMBL9122124 0.72 ALDH1A1 (0.36) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL14465627 0.71 GPBAR1 (0.38) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL5291180 0.69 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL12285479 0.69 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL2280554 0.68 SMN1; SMN2 (0.65) SMN1; SMN2HTTNPSR1
SCHEMBL19389589 0.68 LMNA (0.44) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL16960385 0.67 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL23067899 0.65 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRMAPK1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759584-B2 Synthesis of biguanidines and triazines, and biguanidino-aluminium complexes as intermediates BAYER CROPSCIENCE AG (DE) 2014-06-24 US disclosed
EP-2231679-B1 SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2011-11-16 EP disclosed
US-20100305317-A1 SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2070934-A1 Synthesis of biguanidines and triazines, and biguanidino-aluminium complexes as intermediates Bayer CropScience AG (DE) 2009-06-17 EP 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-20100305317-A1 SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES ATIC, SRM, F12 ALDH1A1 1910/4885CYP3A4 3446/4885TSHR 335/4885

“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.