SCHEMBL1044699

SCHEMBL1044699

CCN(CC)c1ccccc1B(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.41
ENPP2 Q13822 2/20 0.39
TSHR P16473 2/20 0.36
LIPE Q05469 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
AR P10275 1/20 0.33
CNR2 P34972 1/20 0.33
GLA P06280 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32

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
SCHEMBL29591352 1.00 LIPG (0.41) LIPGENPP2TSHRLIPEALDH1A1
SCHEMBL3187248 0.79 MEN1 (0.45) LIPGENPP2LIPEALDH1A1MEN1
SCHEMBL6299189 0.78 TSHR (0.46) TSHRALDH1A1CYP3A4MEN1NPC1
SCHEMBL31718395 0.78 TSHR (0.46) TSHRALDH1A1CYP3A4MEN1NPC1
SCHEMBL29589969 0.75 MAPT (0.46) LIPGENPP2TSHRLIPEALDH1A1
SCHEMBL27870 0.75 MAPT (0.46) LIPGENPP2TSHRLIPEALDH1A1
SCHEMBL14677579 0.74 ENPP2 (0.42) LIPGENPP2TSHRLIPEALDH1A1
SCHEMBL30537426 0.74 ENPP2 (0.42) LIPGENPP2TSHRLIPEALDH1A1
SCHEMBL10333062 0.73 ALDH1A1 (0.42) TSHRALDH1A1CYP3A4MEN1NPC1
Hydrochloric Acid SCHEMBL29953389 0.73 MAPT (0.45) LIPGENPP2TSHRLIPEALDH1A1

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10821429-B2 Precatalysts and process for the metal-free functionalization of SP2 carbons using the same UNIVERSITé LAVAL (CA) 2020-11-03 US disclosed
US-10821429-B2 Precatalysts and process for the metal-free functionalization of SP2 carbons using the same UNIVERSITé LAVAL (CA) 2020-11-03 US disclosed
US-20190262817-A1 PRECATALYSTS AND PROCESS FOR THE METAL-FREE FUNCTIONALIZATION OF SP2 CARBONS USING THE SAME UNIVERSITé LAVAL (CA) 2019-08-29 US disclosed
US-20190262817-A1 PRECATALYSTS AND PROCESS FOR THE METAL-FREE FUNCTIONALIZATION OF SP2 CARBONS USING THE SAME UNIVERSITé LAVAL (CA) 2019-08-29 US disclosed
US-10258976-B2 Precatalysts and process for the metal-free functionalization of SP2 carbons using the same UNIVERSITé LAVAL (CA) 2019-04-16 US disclosed
US-10258976-B2 Precatalysts and process for the metal-free functionalization of SP2 carbons using the same UNIVERSITé LAVAL (CA) 2019-04-16 US disclosed
US-20180280950-A1 PRECATALYSTS AND PROCESS FOR THE METAL-FREE FUNCTIONALIZATION OF SP2 CARBONS USING THE SAME UNIVERSITE LAVAL (CA) 2018-10-04 US disclosed
EP-2871199-B1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-02-21 EP disclosed
EP-2871198-B1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-06-14 EP disclosed
EP-1306131-B1 Cross-coupling process using a catalyst comprising a cyclic nitrogen ligand SUMITOMO CHEMICAL CO (JP) 2016-12-07 EP disclosed
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040167364-A1 Production method of a coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-26 US disclosed
EP-1449580-A1 Production method of a cross-coupling compound from an alkyl halide and an organoboron compound Sumitomo Chemical Co.,Ltd. (JP) 2004-08-25 EP disclosed
US-20040161404-A1 Method for producing coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-19 US disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 US disclosed
EP-1439157-A2 Method for producing Suzuki coupling compound catalysed by a nickel compound Sumitomo Chemical Co.,Ltd. (JP) 2004-07-21 EP disclosed
US-20040024229-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED 2004-02-05 US disclosed
EP-1346971-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-24 EP disclosed
US-20030162950-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-28 US disclosed
EP-1306131-A2 Cross-Coupling catalyst comprising a cyclic nitrogen ligand and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-02 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 (7 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-20030162950-A1 Coupling catalyst and process using the same NOD1, PYM1, C9 LIPG 4489/4885ENPP2 1203/4885TSHR 3465/4885
US-20040024229-A1 Production method for biarylalanine BCAT2, BCAT1, PAH LIPG 4775/4885ENPP2 4186/4885TSHR 1972/4885
US-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 LIPG 4498/4885ENPP2 3832/4885TSHR 1200/4885
US-10258976-B2 Precatalysts and process for the metal-free functionalization of SP2 carbons using the same SP1, LEF1, FOS LIPG 4339/4885ENPP2 3711/4885TSHR 4455/4885
US-20040167364-A1 Production method of a coupling compound PYM1, BRIX1, CXCR1 LIPG 4866/4885ENPP2 2211/4885TSHR 447/4885
US-20040161404-A1 Method for producing coupling compound PYM1, MALT1, BET1 LIPG 4860/4885ENPP2 807/4885TSHR 423/4885
US-20180280950-A1 PRECATALYSTS AND PROCESS FOR THE METAL-FREE FUNCTIONALIZATION OF SP2 CARBONS USING THE SAME SP1, LEF1, FOS LIPG 4339/4885ENPP2 3711/4885TSHR 4455/4885

“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.