SCHEMBL5944481

SCHEMBL5944481

CC[N+](C)(CC)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
IDO1 P14902 2/20 0.35
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
AGXT P21549 1/20 0.31
TSHR P16473 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 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
SCHEMBL5944524 0.86 ACHE (0.35) ACHETDP1IDO1
SCHEMBL5944418 0.82 ACHE (0.40) ACHETDP1IDO1ALDH1A1MAPT
SCHEMBL15430820 0.79 ACHE (0.43) ACHETDP1IDO1ALDH1A1MAPT
SCHEMBL26422119 0.77 ACHE (0.42) ACHETDP1ALDH1A1MAPTCA1
SCHEMBL8976150 0.76 ACHE (0.44) ACHETDP1IDO1ALDH1A1MAPT
SCHEMBL9712020 0.76 ACHE (0.44) ACHETDP1IDO1ALDH1A1MAPT
SCHEMBL5436496 0.76 APOBEC3A (0.50) ACHETDP1ALDH1A1TSHRLMNA
Ammonia Solution, Strong SCHEMBL29036084 0.75 ACHE (0.44) ACHETDP1IDO1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL11681238 0.75 GAA (0.40) ACHETDP1ALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL11399161 0.75 PSMD14 (0.39) ACHEIDO1ALDH1A1CA1CA2

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 6 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-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-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-20060186419-A1 Light-emitting device KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-24 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 (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-20090131393-A1 Process for Preparing Chlorides of Phthalocyanine Derivatives Comprising at Least a Quaternary Ammonium Group PHLPP1, PHPT1, PHLPP2 ACHE 4182/4885TDP1 3855/4885IDO1 4288/4885
US-20090130049-A1 Self-Sterilizing Products NASP, ZP1, SPAG5 ACHE 4720/4885TDP1 4218/4885IDO1 4294/4885

“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.