SCHEMBL2945284

SCHEMBL2945284

COc1ccc(C(=O)c2ccccc2)c(Br)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.71
MAPK1 P28482 4/20 0.71
LMNA P02545 4/20 0.71
ALDH1A1 P00352 3/20 0.71
HPGD P15428 3/20 0.71
CYP2C19 P33261 3/20 0.71
HTT P42858 3/20 0.71
CYP2D6 P10635 2/20 0.71
PGR P06401 2/20 0.71
SLC6A2 P23975 2/20 0.71
PDE4A P27815 1/20 0.71
HRH1 P35367 1/20 0.71
SLC6A3 Q01959 1/20 0.71
PDE4D Q08499 1/20 0.71
RAB9A P51151 4/20 0.57
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPC1 O15118 3/20 0.57
POLB P06746 2/20 0.57

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
SCHEMBL9726513 0.86 RAB9A (0.66) CYP1A2MAPK1LMNAALDH1A1HPGD
SCHEMBL20157316 0.85 MAPT (0.61) CYP1A2MAPK1LMNAALDH1A1HPGD
SCHEMBL7928540 0.84 CYP1A2 (0.52) CYP1A2MAPK1LMNAALDH1A1HPGD
SCHEMBL20157317 0.84 NPC1 (0.58) CYP1A2MAPK1LMNAALDH1A1HPGD
SCHEMBL3224251 0.83 NPC1 (0.81) CYP1A2MAPK1LMNAALDH1A1HPGD
Oxybenzone SCHEMBL15551 0.83 HPGD (1.00) CYP1A2MAPK1LMNAALDH1A1HPGD
SCHEMBL3480945 0.83 ALDH1A1 (0.71) CYP1A2MAPK1LMNAALDH1A1HPGD
Oxybenzone SCHEMBL6674080 0.83 HPGD (1.00) CYP1A2MAPK1LMNAALDH1A1HPGD
SCHEMBL699230 0.83 ALDH1A1 (0.71) CYP1A2MAPK1LMNAALDH1A1HPGD
Oxybenzone SCHEMBL5161586 0.83 HPGD (1.00) CYP1A2MAPK1LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754891-B2 chiral ligand may coordinate with metal ions, such as copper, palladium and the like, to catalyze such reactions as asymmetric cyclopropylation reaction, intramolecular Wacker-Type cyclization reaction, asymmetric oxidation reaction of olefin, and intramolecular [2+1] ring addition reaction SHANGHAI JIAOTONG UNIVERSITY (CN) 2010-07-13 US claimed
US-20090156829-A1 5,5'- POSITION LINKED 1,1'- BIPHENYL AXIAL CHIRAL LIGAND AND METHOD FOR PREPARING THE SAME SHANGHAI JIAOTONG UNIVERSITY (CN) 2009-06-18 US claimed
CN-101346359-A 5, 5' position connecting 1, 1'-biphenyl shaft chiral ligand and its synthesizing method UNIV SHANGHAI JIAOTONG (CN) 2009-01-14 CN claimed
CN-103517899-A Chromene compounds TOKUYAMA CORPROATION 2014-01-15 CN disclosed
US-7754891-B2 chiral ligand may coordinate with metal ions, such as copper, palladium and the like, to catalyze such reactions as asymmetric cyclopropylation reaction, intramolecular Wacker-Type cyclization reaction, asymmetric oxidation reaction of olefin, and intramolecular [2+1] ring addition reaction SHANGHAI JIAOTONG UNIVERSITY (CN) 2010-07-13 US disclosed
US-20090156829-A1 5,5'- POSITION LINKED 1,1'- BIPHENYL AXIAL CHIRAL LIGAND AND METHOD FOR PREPARING THE SAME SHANGHAI JIAOTONG UNIVERSITY (CN) 2009-06-18 US disclosed
CN-101346359-A 5, 5' position connecting 1, 1'-biphenyl shaft chiral ligand and its synthesizing method UNIV SHANGHAI JIAOTONG (CN) 2009-01-14 CN disclosed
CN-100348597-C Process for synthesizing 5,5' bit connected 1,1'-diphenyl kind axle chirality ligand UNIV SHANGHAI JIAOTONG (CN) 2007-11-14 CN disclosed
US-3959475-A ANTIDEPRESSANT, TRANQUILIZER, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1976-05-25 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 (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-20090156829-A1 5,5'- POSITION LINKED 1,1'- BIPHENYL AXIAL CHIRAL LIGAND AND METHOD FOR PREPARING THE SAME AHR, CXCR5, CYP1B1 CYP1A2 36/4885MAPK1 2660/4885LMNA 4392/4885

“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.