SCHEMBL1047734

SCHEMBL1047734

CCN(CC)c1cccc(B(O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
CYP3A4 P08684 1/20 0.58
LPL P06858 2/20 0.46
LIPG Q9Y5X9 2/20 0.46
ENPP2 Q13822 7/20 0.46
MGLL Q99685 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TERT O14746 1/20 0.40
S100B P04271 1/20 0.39
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL2091524 0.84 ENPP2 (0.42) ALDH1A1CYP3A4LPLLIPGENPP2
SCHEMBL19492621 0.83 LPL (0.45) ALDH1A1CYP3A4LPLLIPGENPP2
SCHEMBL3186807 0.79 ENPP2 (0.48) ALDH1A1CYP3A4LPLLIPGENPP2
SCHEMBL1574035 0.79 ALDH1A1 (0.71) ALDH1A1CYP3A4KDM4ETERTS100B
SCHEMBL29956649 0.79 TSHR (0.62) ALDH1A1LPLLIPGENPP2MGLL
SCHEMBL15553769 0.78 MGLL (0.57) ALDH1A1CYP3A4LPLLIPGENPP2
SCHEMBL31563611 0.78 MGLL (0.57) ALDH1A1CYP3A4LPLLIPGENPP2
SCHEMBL150235 0.78 ALDH1A1 (0.54) ALDH1A1LPLLIPGENPP2MGLL
SCHEMBL3042479 0.76 RORC (0.41) ALDH1A1LPLLIPGENPP2SMN1; SMN2
SCHEMBL19894120 0.76 LPL (0.50) ALDH1A1CYP3A4LPLLIPGENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442974-B1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2023-06-07 EP disclosed
CN-110003271-B Process for producing aromatic compound 住友化学株式会社 2022-05-03 CN disclosed
US-9982087-B2 Method for producing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-29 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
US-9453103-B2 Method for producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-27 US disclosed
US-20160200861-A1 METHOD FOR PRODUCING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-14 US disclosed
EP-3037398-A1 METHOD FOR MANUFACTURING CHEMICAL COMPOUND Sumitomo Chemical Company, Limited (JP) 2016-06-29 EP disclosed
US-9238665-B2 Method for producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-01-19 US 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 (6 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 ALDH1A1 3293/4885CYP3A4 2291/4885LPL 4531/4885
US-20040024229-A1 Production method for biarylalanine BCAT2, BCAT1, PAH ALDH1A1 1622/4885CYP3A4 288/4885LPL 4579/4885
US-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 ALDH1A1 1099/4885CYP3A4 45/4885LPL 4563/4885
US-20040167364-A1 Production method of a coupling compound PYM1, BRIX1, CXCR1 ALDH1A1 3812/4885CYP3A4 1777/4885LPL 4646/4885
US-20040161404-A1 Method for producing coupling compound PYM1, MALT1, BET1 ALDH1A1 3550/4885CYP3A4 3037/4885LPL 4576/4885
US-20160200861-A1 METHOD FOR PRODUCING COMPOUND NUDT1, OSGEP, CNOT9 ALDH1A1 2807/4885CYP3A4 628/4885LPL 4513/4885

“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.