SCHEMBL6155730

SCHEMBL6155730

CCOC(OCC)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.45
NISCH Q9Y2I1 1/20 0.43
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
AOC3 Q16853 1/20 0.41
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
IDO2 Q6ZQW0 2/20 0.40
HIF1A Q16665 3/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
BLM P54132 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
MC4R P32245 1/20 0.36
TSHR P16473 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL22824154 0.82 CASP1 (0.44) CASP1NISCHADRB2ADRB1AOC3
SCHEMBL22303864 0.77 ADRB2 (0.42) CASP1NISCHADRB2ADRB1AOC3
SCHEMBL898540 0.77 ESR1 (0.50) CYP2D6BLML3MBTL1MC4RTSHR
SCHEMBL699772 0.77 ALDH1A1 (0.38) CYP2D6L3MBTL1TSHRCYP2C19CYP3A4
SCHEMBL2220996 0.76 IDO1 (0.44) CASP1NISCHADRB2ADRB1AOC3
SCHEMBL933759 0.75 IDO1 (0.39) IDO1TDO2L3MBTL1TSHRCYP2C9
SCHEMBL7101257 0.75 L3MBTL1 (0.36) L3MBTL1TSHR
SCHEMBL5397237 0.75 CA1 (0.48) IDO1TDO2L3MBTL1MC4RTSHR
SCHEMBL29896649 0.75 IDO1 (0.39) IDO1TDO2L3MBTL1TSHRCYP2C9
SCHEMBL8022572 0.75 L3MBTL1 (0.43) IDO1TDO2CYP2D6L3MBTL1MC4R

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
CN-100406462-C Method for producing formylphenylboronic acids CLARIANT GMBH (DE) 2008-07-30 CN disclosed
CN-1630659-A Method for producing formylphenylboronic acids CLARIANT GMBH (DE) 2005-06-22 CN disclosed
EP-1343792-B1 METHOD FOR PRODUCING FORMYLPHENYLBORONIC ACIDS CLARIANT GMBH (DE) 2005-02-02 EP disclosed
US-6833470-B2 Reaction of protected chlorobenzaldehydes with lithium in an inert solvent and reacting lithiated product with a trihalo-, trialkoxy-, trialkylthio- or tris(dialkylamino)- borane CLARIANT GMBH (DE) 2004-12-21 US disclosed
US-20040049050-A1 Method for producing formylphenylboronic acids EUTICALS GMBH (DE) 2004-03-11 US disclosed
EP-1343792-A1 METHOD FOR PRODUCING FORMYLPHENYLBORONIC ACIDS Clariant GmbH (DE) 2003-09-17 EP disclosed
WO-2002048155-A1 METHOD FOR PRODUCING FORMYLPHENYLBORONIC ACIDS CLARIANT GMBH (DE) 2002-06-20 WO disclosed
US-4421924-A FROM GULONO-1,4-LACTONE PFIZER INC. (US) 1983-12-20 US disclosed
US-4405795-A DISINFECTANTS; BACTERICIDES; FUNGICIDES STERLING DRUG INC. (US) 1983-09-20 US disclosed
US-4371547-A MICROBIOCIDES, BACTERICIDES, FUNGICIDES; ODORLESS STERLING DRUG INC. (US) 1983-02-01 US disclosed
US-4283340-A VITAMINS PFIZER INC. (US) 1981-08-11 US disclosed
EP-0000243-B1 PROCESS FOR PREPARING 3,5:4,6- PROTECTED DERIVATIVES OF L- OR D- GULONIC ACID, THEIR USE IN PREPARING 2- KETO-L- OR D- GULONIC ACID OR THEIR ESTERS OR L- OR D- ASCORBIC ACID, AND CERTAIN NOVEL 2-NITRATO-GULONATE INTERMEDIATES PFIZER INC. (US) 1981-01-07 EP disclosed
US-4232168-A OXIDATION, HYDROLYSIS PFIZER INC. (US) 1980-11-04 US disclosed
EP-0000243-A1 Process for preparing 3,5:4,6- protected derivatives of L- or D- gulonic acid, their use in preparing 2- keto-L- or D- gulonic acid or their esters or L- or D- ascorbic acid, and certain novel 2-nitrato-gulonate intermediates PFIZER INC. (US) 1979-01-10 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 (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-20040049050-A1 Method for producing formylphenylboronic acids MAOB, BLVRB, FOSB CASP1 1205/4885NISCH 21/4885ADRB2 2283/4885

“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.