SCHEMBL7145344

SCHEMBL7145344

CCC(=O)Cc1ccccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.54
DRD2 P14416 2/20 0.54
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 4/20 0.52
PTGER1 P34995 3/20 0.51
PTGER4 P35408 3/20 0.51
PTGER3 P43115 3/20 0.51
PTGER2 P43116 3/20 0.51
CFD P00746 2/20 0.51
F11 P03951 2/20 0.51
TPSB2 P20231 2/20 0.51
PLG P00747 1/20 0.51
PLAU P00749 1/20 0.51
KLKB1 P03952 1/20 0.51
F7 P08709 1/20 0.51
BRD4 O60885 1/20 0.50
ABCB1 P08183 2/20 0.49
FOLH1 Q04609 1/20 0.49
LIPE Q05469 1/20 0.49
MAPT P10636 2/20 0.49

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
SCHEMBL68571 0.84 L3MBTL1 (0.69) HTR1ADRD2GAAL3MBTL1PTGER1
SCHEMBL1007508 0.83 CFD (0.68) HTR1ADRD2GAAL3MBTL1PTGER1
SCHEMBL31757965 0.83 CFD (0.68) HTR1ADRD2GAAL3MBTL1PTGER1
SCHEMBL14765242 0.83 L3MBTL1 (0.56) GAAL3MBTL1MAPTTDP1KDM4E
Bicarbonate SCHEMBL27963003 0.83 HTR1A (0.61) HTR1ADRD2GAAL3MBTL1PTGER1
SCHEMBL27714342 0.83 HTR1A (0.65) HTR1ADRD2GAAL3MBTL1PTGER1
SCHEMBL31758136 0.83 GAA (0.50) HTR1ADRD2GAAL3MBTL1PTGER1
SCHEMBL28129137 0.83 BCHE (0.59) L3MBTL1PTGER4PTGER3PTGER2KDM4E
SCHEMBL1412911 0.82 HTR1A (0.59) HTR1ADRD2GAAL3MBTL1PTGER1
SCHEMBL5661211 0.82 TBXAS1 (0.53) HTR1ADRD2GAAL3MBTL1PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-01 US disclosed
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-01 US disclosed
US-20030143701-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. 2003-07-31 US disclosed
EP-0924194-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-05-14 EP disclosed
US-6528686-B1 Reacting primary amine and ketone functionalized derivatives; catalytically reducing DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-04 US disclosed
EP-0924193-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-02-19 EP disclosed
EP-0939134-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2002-09-11 EP disclosed
US-6114582-A DECYCLIZATION TO FORM A CHEMICAL INTERMEDIATE FOR PRODUCING AN ANTI-OBESITY AGENT AND ANTIDIABETIC AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 US disclosed
EP-0654534-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2000-03-01 EP disclosed
EP-0939134-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-01 EP disclosed
EP-0924193-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
EP-0924194-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 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-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof CD4, CD40LG, CD14 HTR1A 3485/4885DRD2 3078/4885GAA 3966/4885

“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.