SCHEMBL4063360

SCHEMBL4063360

CCCCCN1COC(=O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ALDH2 P05091 1/20 0.50
ALDH3A1 P30838 1/20 0.50
CDC25A P30304 10/20 0.49
CES1 P23141 2/20 0.49
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MITF O75030 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SCN9A Q15858 4/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41

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
SCHEMBL8486261 0.98 CDC25A (0.51) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL9244465 0.80 KDM4E (0.41) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL28018183 0.78 KDM4E (0.43) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL28018744 0.78 KDM4E (0.43) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL28018743 0.78 KDM4E (0.43) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL10490505 0.78 KDM4E (0.43) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL28018780 0.78 KDM4E (0.43) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL5712077 0.78 ALDH1A1 (0.53) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL7386417 0.78 ALDH1A1 (0.46) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL6760699 0.76 ALDH1A1 (0.50) ALDH1A1ALDH2ALDH3A1CDC25ACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566799-B2 Process for the preparation of alkylaryl compounds and sulfonates thereof BASF AKTIENGESELLSCHAFT (DE) 2009-07-28 US disclosed
EP-1309545-B1 METHOD FOR PRODUCING ALKYL ARYL SULPHONATES BASF AG (DE) 2007-08-22 EP disclosed
US-20060167308-A1 Process for the preparation of alkylarylsulfonates BASF AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
US-7060852-B2 Method for producing alkyl aryl sulphonates BASF AKTIENGESELLSCHAFT (DE) 2006-06-13 US disclosed
US-20040254411-A1 Method for producing alkylaryl compounds and sulfonates thereof BASF AKTIENGESELLSCHAFT (DE) 2004-12-16 US disclosed
EP-1434752-A2 METHOD FOR PRODUCING ALKYLARYL COMPOUNDS AND SULFONATES THEREOF BASF AKTIENGESELLSCHAFT (DE) 2004-07-07 EP disclosed
US-20040030209-A1 Catalytic alkylation using zeolite; sulfonation; neutralization BASF AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
US-20040010161-A1 Method for producing alkyl aryl sulphonates BASF AKTIENGESELLSCHAFT (DE) 2004-01-15 US disclosed
EP-1343742-A1 METHOD FOR THE PRODUCTION OF ALKYL ARYL SULPHONATES BASF AKTIENGESELLSCHAFT (DE) 2003-09-17 EP disclosed
EP-1309545-A1 METHOD FOR PRODUCING ALKYL ARYL SULPHONATES BASF AKTIENGESELLSCHAFT (DE) 2003-05-14 EP disclosed
WO-2003029172-A2 METHOD FOR PRODUCING ALKYLARYL COMPOUNDS AND SULFONATES THEREOF BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 WO disclosed
WO-2002044114-A1 METHOD FOR THE PRODUCTION OF ALKYL ARYL SULPHONATES BASF AKTIENGESELLSCHAFT (DE) 2002-06-06 WO disclosed
WO-2002014266-A1 METHOD FOR PRODUCING ALKYL ARYL SULPHONATES BASF AKTIENGESELLSCHAFT (DE) 2002-02-21 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 (4 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-20060167308-A1 Process for the preparation of alkylarylsulfonates CYP2B6, C9, CYP2D6 ALDH1A1 1919/4885ALDH2 2163/4885ALDH3A1 1366/4885
US-20040030209-A1 Catalytic alkylation using zeolite; sulfonation; neutralization TPSD1, CYP2F1, CYP2S1 ALDH1A1 2658/4885ALDH2 1914/4885ALDH3A1 1863/4885
US-20040254411-A1 Method for producing alkylaryl compounds and sulfonates thereof LSS, PYM1, LYPLA1 ALDH1A1 1000/4885ALDH2 1446/4885ALDH3A1 766/4885
US-20040010161-A1 Method for producing alkyl aryl sulphonates CYP2B6, ARSA, CYP2D6 ALDH1A1 1297/4885ALDH2 1935/4885ALDH3A1 763/4885

“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.