SCHEMBL5406850

SCHEMBL5406850

C=CC(=O)NC(C)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.56
TGM2 P21980 1/20 0.53
CYP2C19 P33261 1/20 0.49
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
GSTO1 P78417 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.40
PHGDH O43175 1/20 0.40

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
SCHEMBL27622736 0.86 ACACB (0.56) ACACBCYP2C19TSHRTDP1ALDH1A1
SCHEMBL30230775 0.86 ACACB (0.56) ACACBCYP2C19TSHRTDP1ALDH1A1
SCHEMBL8445691 0.84 ACACB (0.55) ACACBCYP2C19TSHRTDP1L3MBTL1
SCHEMBL5527681 0.84 TDP1 (0.63) ACACBTSHRTDP1ALDH1A1HPGD
SCHEMBL28207649 0.84 TDP1 (0.63) ACACBTSHRTDP1ALDH1A1HPGD
SCHEMBL15338427 0.84 TDP1 (0.46) ACACBTDP1L3MBTL1TAS1R3TAS1R1
SCHEMBL4415392 0.84 TDP1 (0.63) ACACBTSHRTDP1ALDH1A1HPGD
SCHEMBL6832416 0.82 TDP1 (0.45) ACACBTDP1L3MBTL1TAS1R3TAS1R1
SCHEMBL30230833 0.81 ACACB (0.63) ACACBTGM2TAS1R3TAS1R1GSTO1
SCHEMBL20791688 0.79 L3MBTL1 (0.53) TDP1L3MBTL1TAS1R3TAS1R1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312251-B2 Synthesis of stable solutions of rare earth tris (organophosphate) in hydrocarbon solvents RHODIA RARE EARTHS, INC. (US) 2007-12-25 US disclosed
EP-1071687-B1 STABLE CONCENTRATED RARE EARTH CARBOXYLATE LIQUIDS RHODIA RARE EARTHS INC (US) 2006-09-27 EP disclosed
CN-1231485-C Stable concentrated rare earth carboxylate liquids RHODIA ELECTRONIC ENGINEERING (US) 2005-12-14 CN disclosed
US-20040192950-A1 Synthesis of stable solutions of rare earth tris (organophosphate) in hydrocarbon solvents YUNLU KENAN (US) 2004-09-30 US disclosed
EP-1173448-B1 STABLE SOLUTIONS OF RARE EARTH TRIS (ORGANOPHOSPHORUS-DERIVATIVES) RHODIA ELECT & CATALYSIS (US) 2004-02-25 EP disclosed
EP-1071687-A4 STABLE CONCENTRATED RARE EARTH CARBOXYLATE LIQUIDS RHODIA RARE EARTHS INC (US) 2003-01-08 EP disclosed
EP-1173448-A1 STABLE SOLUTIONS OF RARE EARTH TRIS (ORGANOPHOSPHORUS-DERIVATIVES) Rhodia Electronics and Catalysis Inc. (US) 2002-01-23 EP disclosed
CN-1303385-A Stable concentrated rare earth carboxylate liquids RHODIA ELECTRONIC ENGINEERING (US) 2001-07-11 CN disclosed
EP-1071687-A1 STABLE CONCENTRATED RARE EARTH CARBOXYLATE LIQUIDS RHODIA INC. (US) 2001-01-31 EP disclosed
WO-2000064910-A1 STABLE SOLUTIONS OF RARE EARTH TRIS (ORGANOPHOSPHORUS-DERIVATIVES) RHODIA ELECTRONICS AND CATALYSIS INC. (US) 2000-11-02 WO disclosed
US-6111082-A Stable concentrated rare earth carboxylate liquids RHODIA RARE EARTHS INC. (US) 2000-08-29 US disclosed
WO-1999054335-A1 STABLE CONCENTRATED RARE EARTH CARBOXYLATE LIQUIDS RHODIA RARE EARTHS INC. (US) 1999-10-28 WO 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-20040192950-A1 Synthesis of stable solutions of rare earth tris (organophosphate) in hydrocarbon solvents PPIP5K2, TTPA, RTF1 ACACB 4095/4885TGM2 1400/4885CYP2C19 3381/4885

“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.