SCHEMBL1736414

SCHEMBL1736414

Cc1cc(C)cc(OC[C@@H](C)[NH])c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1734408 1.00 KMT2A (0.41) KMT2ATSHRTP53ALOX15ADRB2
SCHEMBL1735306 1.00 KMT2A (0.41) KMT2ATSHRTP53ALOX15ADRB2
SCHEMBL1735307 0.78 SCN4A (0.47) KMT2ATSHRCYP3A4LMNAMAOA
SCHEMBL9123701 0.78 KMT2A (0.41) KMT2ATSHRTP53ALOX15ADRB2
SCHEMBL1734411 0.78 SCN4A (0.47) KMT2ATSHRCYP3A4LMNAMAOA
SCHEMBL8778311 0.78 LMNA (0.55) KMT2ATSHRTP53ALOX15ADRB2
SCHEMBL9123210 0.78 KMT2A (0.41) KMT2ATSHRTP53ALOX15ADRB2
SCHEMBL1735292 0.78 SCN4A (0.47) KMT2ATSHRCYP3A4LMNAMAOA
SCHEMBL14465626 0.77 KMT2A (0.40) KMT2ATSHRADRB2ADRB1ALDH1A1
Hydrochloric Acid SCHEMBL9122119 0.77 SCN5A (0.48) KMT2ATSHRALDH1A1CYP3A4LMNA

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 KMT2A 774/4885TSHR 335/4885TP53 760/4885

“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.