SCHEMBL10076569

SCHEMBL10076569

CC[N+](C)(CC)c1cccc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.46
TSHR P16473 2/20 0.42
OPRM1 P35372 1/20 0.42
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
TAAR1 Q96RJ0 2/20 0.36
IDO1 P14902 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL13854404 0.83 ACHE (0.62) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL4611923 0.77 ACHE (0.71) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL4612908 0.77 ACHE (0.41) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL12020272 0.77 ACHE (0.56) ACHETSHRALDH1A1MAPK1TDP1
SCHEMBL9013920 0.77 ACHE (0.56) ACHETSHRALDH1A1MAPK1TDP1
Iodide SCHEMBL9985272 0.75 ACHE (0.54) ACHETSHRALDH1A1MAPK1TDP1
SCHEMBL5436496 0.74 APOBEC3A (0.50) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL10053238 0.74 ACHE (0.39) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL18644115 0.74 ACHE (0.45) ACHEALDH1A1CYP3A4TAAR1IDO1
SCHEMBL12339274 0.72 ACHE (0.44) ACHETSHROPRM1BLMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9601696-B2 Electroluminescent composition and electric device with high brightness SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-03-21 US disclosed
US-8741264-B2 Self-sterilizing products MOLTENI THERAPEUTICS S.R.L. (IT) 2014-06-03 US disclosed
US-8664382-B2 Antibacterial compositions comprising metal phthalocyanine analogues MOLTENI THERAPEUTICS S.R.L. (IT) 2014-03-04 US disclosed
US-8288528-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti—Società di Esercizio S.p.A. (IT) 2012-10-16 US disclosed
US-8242262-B2 Process for preparing chlorides of phthalocyanine derivatives comprising at least a quaternary ammonium group L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA'DI ESERCIZIO S.P.A. (IT) 2012-08-14 US disclosed
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-7947674-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti (IT) 2011-05-24 US disclosed
US-20110112464-A1 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2011-05-12 US disclosed
US-7749991-B2 Substituted metal-phthalocyanines, their preparation and the use thereof L. MOLTENI & C. DEI FRATELLI ALITTI-SOCIETA DI ESERCIZIO S.P.A. (IT) 2010-07-06 US disclosed
US-20090131393-A1 Process for Preparing Chlorides of Phthalocyanine Derivatives Comprising at Least a Quaternary Ammonium Group L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA' DI ESERCIZIO S.P.A. (IT) 2009-05-21 US disclosed
US-20090130049-A1 Self-Sterilizing Products L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA' DI ESERCIZIO S.P.A. (IT) 2009-05-21 US disclosed
US-20070066513-A1 Substituted metal-phthalocyanines, their preparation and the use thereof MOLTENI THERAPEUTICS S.R.L. (IT) 2007-03-22 US disclosed
WO-2007000473-A1 USE OF PHTHALOCYANINE DERIVATES FOR THE NON-PHOTODYNAMIC TREATMENT OF DISEASES L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA' DI ESERCIZIO S.P.A. (IT) 2007-01-04 WO disclosed
US-4036824-A Disazo dyestuffs containing A-O-alkylene-O-SO3 H group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 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 (3 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-20070066513-A1 Substituted metal-phthalocyanines, their preparation and the use thereof CD47, CD99, MEN1 ACHE 4793/4885TSHR 4409/4885OPRM1 4197/4885
US-20090131393-A1 Process for Preparing Chlorides of Phthalocyanine Derivatives Comprising at Least a Quaternary Ammonium Group PHLPP1, PHPT1, PHLPP2 ACHE 4182/4885TSHR 4476/4885OPRM1 4825/4885
US-20090130049-A1 Self-Sterilizing Products NASP, ZP1, SPAG5 ACHE 4720/4885TSHR 4384/4885OPRM1 4872/4885

“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.