SCHEMBL1735150

SCHEMBL1735150

CCC(N)Oc1cc(C)cc(C)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TACR1 P25103 4/20 0.33
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PARP10 Q53GL7 1/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 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
Hydrochloric Acid SCHEMBL9122124 0.98 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2TSHRCYP3A4MAPK1
SCHEMBL9325829 0.88 ALDH1A1 (0.41) ALDH1A1CYP3A4TACR1
SCHEMBL16447477 0.86 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9324031 0.80 ACHE (0.48) ALDH1A1SMN1; SMN2TDP1
SCHEMBL10550130 0.78 ACHE (0.41) ALDH1A1TSHRCYP3A4TDP1NPSR1
SCHEMBL9325387 0.78 ALDH1A1 (0.48) ALDH1A1CYP3A4
SCHEMBL23067899 0.75 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRCYP3A4MAPK1
SCHEMBL3242720 0.74 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TSHRCYP3A4MAPK1
SCHEMBL1735148 0.74 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2TSHRCYP3A4MAPK1
SCHEMBL10553436 0.74 SMN1; SMN2 (0.57) SMN1; SMN2TDP1

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 8 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
EP-0492615-B1 Process for producing biguanide derivative IDEMITSU KOSAN CO (JP) 1995-03-08 EP disclosed
US-5286905-A Heating hydrogen halide salt of phenoxyalkylamine with dicyandiamide in paraffinic hydrocarbon solvent IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-02-15 US disclosed
EP-0492615-A1 Process for producing biguanide derivative IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-07-01 EP disclosed
US-4844731-A HERBICIDES FOR RICE PADDYS IDEMITSU COMPANY CO., LTD. (JP) 1989-07-04 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-20100305317-A1 SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES ATIC, SRM, F12 ALDH1A1 1910/4885SMN1; SMN2 3160/4885TSHR 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.