SCHEMBL1704796

SCHEMBL1704796

c1ccc(Cc2ccccc2N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.45
CALM1 P0DP23 1/20 0.44
TSHR P16473 2/20 0.44
HTR2A P28223 1/20 0.44
NR3C1 P04150 8/20 0.43
CYP2C19 P33261 1/20 0.42
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
AR P10275 1/20 0.41
AOC3 Q16853 1/20 0.39

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
SCHEMBL11523001 0.94 TSHR (0.45) PTPN1CALM1TSHRNR3C1CYP2C19
SCHEMBL18050878 0.87 HTR2A (0.42) PTPN1CALM1TSHRHTR2ANR3C1
SCHEMBL7148219 0.82 TSHR (0.54) CALM1TSHRNR3C1CYP2C19ALDH1A1
SCHEMBL8364929 0.82 AR (0.48) PTPN1CALM1TSHRHTR2ACYP2C19
SCHEMBL10659836 0.80 BCL2 (0.52) PTPN1CALM1HTR2ABCL2BCL2L1
SCHEMBL4058078 0.79 PTPN1 (0.42) PTPN1CALM1TSHRHTR2ABCL2
Bromide SCHEMBL10963850 0.77 DRD2 (0.46) PTPN1CALM1TSHRHTR2ABCL2
SCHEMBL1024641 0.77 TDP1 (0.51) PTPN1TSHRHTR2ABCL2BCL2L1
SCHEMBL3006766 0.77 TRPM8 (0.54) TSHRNR3C1CYP2C19ALDH1A1PGR
SCHEMBL29878136 0.77 PTPN1 (0.47) PTPN1CALM1TSHRHTR2ABCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2039698-B1 PHOSPHORUS MOLYBDENUM COMPOUND AND METHOD FOR PRODUCING THE SAME ADEKA CORP (JP) 2013-04-17 EP disclosed
EP-2078725-B1 PHOSPHORUS-MOLYBDENUM COMPOUND, METHOD FOR PRODUCING THE SAME, LUBRICANT ADDITIVE CONTAINING THE COMPOUND, AND LUBRICANT COMPOSITION ADEKA CORP (JP) 2012-04-18 EP disclosed
US-8071801-B2 Phosphorus molybdenum compound and method for producing same ADEKA CORPORATION (JP) 2011-12-06 US disclosed
US-8012916-B2 Phosphorus-molybdenum compound, method for producing same and lubricant additive and lubricant composition containing the compound ADEKA CORPORATION (JP) 2011-09-06 US disclosed
US-20090270289-A1 Phosphorus-molybdenum compound, method for producing same and lubricant additive and lubricant composition containing the compound ADEKA CORPORATION (JP) 2009-10-29 US disclosed
US-20090192062-A1 Phosphorus molybdenum compound and method for producing same ADEKA CORPORATION (JP) 2009-07-30 US disclosed
EP-2078725-A1 PHOSPHORUS-MOLYBDENUM COMPOUND, METHOD FOR PRODUCING THE SAME, LUBRICANT ADDITIVE CONTAINING THE COMPOUND, AND LUBRICANT COMPOSITION Adeka Corporation (JP) 2009-07-15 EP disclosed
EP-2039698-A1 PHOSPHORUS MOLYBDENUM COMPOUND AND METHOD FOR PRODUCING THE SAME Adeka Corporation (JP) 2009-03-25 EP disclosed
CN-101218546-A Pattern forming method FUJIFILM CORP (JP) 2008-07-09 CN disclosed
US-20070155636-A1 Lubricating oil additive and lubricating oil composition containing the same ADEKA CORPORATION (JP) 2007-07-05 US disclosed
EP-1717298-A1 LUBRICATING OIL ADDITIVE AND LUBRICATING OIL COMPOSITION CONTAINING SAME Adeka Corporation (JP) 2006-11-02 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 (2 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-20090270289-A1 Phosphorus-molybdenum compound, method for producing same and lubricant additive and lubricant composition containing the compound JAK1, PRDX1, PRDX4 PTPN1 2903/4885CALM1 3273/4885TSHR 3839/4885
US-20090192062-A1 Phosphorus molybdenum compound and method for producing same PHPT1, PHOSPHO1, MPHOSPH6 PTPN1 765/4885CALM1 3440/4885TSHR 1088/4885

“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.